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Home > Encyclopedia > Carbonimidic dichloride, hydroxy-

Carbonimidic dichloride, hydroxy-

Carbonimidic dichloride, hydroxy- structure

Carbonimidic dichloride, hydroxy- 

structure
  • CAS No:

    1794-86-1

  • Formula:

    CHCl2NO

  • Chemical Name:

    Carbonimidic dichloride, hydroxy-

  • Synonyms:

    Carbonimidic dichloride,hydroxy-;Phosgene,oxime;Dichloroformoxime;Dichloroformaldoxime;Dichloroformaldehyde oxime;CX;Phosgene oximine

Description

Phosgene oxime is a colorless liquid, odorless to fruity.|Colorless, crystalline solid or yellowish-brown liquid.


Phosgene oxime is a colorless liquid, odorless to fruity.|Phosgene oxime is a manufactured chemical that was developed as a potential chemical warfare agent, but its use on the battlefield has never been documented. It has a disagreeable penetrating odor. Pure phosgene oxime is a colorless, crystalline solid; the munitions grade compound is a yellowish-brown liquid. Both the liquid and the solid can give off vapors at ambient temperatures.

Carbonimidic dichloride, hydroxy- Basic Attributes

113.93 g/mol

113.93

G45S3149SQ

2811

DTXSID9075292

Colorless prismatic crystals|Colorless solid or yellowish-brown liquid

Characteristics

32.6 Ų

log Kow = 0.73 (est)

39-40 °C

129 °C

Soluble in water, alcohol, ether and benzene|In water, 2.5X10+4 mg/L at 25 °C (est)

11.2 mm Hg at 25 °C (solid); 13 mm Hg at 40 °C (liquid)

<3.9 (Air = 1)

Disagreeable, penetrating odor|Intense, penetrating, disagreeable and violently irritating odor

Henry's Law constant = 5.5X10-7 atm-cu m/mole at 25 °C (est)

pKa = 6.5 (est)

It decomposes when in contact with many metals, but it also is corrosive to most metals.|Volatility: 1800 mg/ cu m at 20 °C

No rapid reaction with air. No rapid reaction with water.

Halogenated Organic Compounds

Phosgene oxime is an oxime. Chemically similar to, but more reactive than an amide. Incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Also incompatible with strongly oxidizing acids, peroxides, and hydroperoxides.

Vapors are heavier than air. They will spread along the ground and collect and stay in poorly-ventilated, low-lying, or confined areas (e.g., sewers, basements, and tanks).

Corrosive to most metals

Safety Information

Principles and methods for destruction of chemical weapons: ... "Destruction of chemical weapons" means a process by which chemicals are converted in an essentially irreversible way to a form unsuitable for production of chemical weapons, and which in an irreversible manner renders munitions and other devices unusable as such. ... Each State Party shall determine how it shall destroy chemical weapons, except that the following processes may not be used: dumping in any body of water, land burial or open-pit burning. It shall destroy chemical weapons only at specifically designated and appropriately designed and equipped facilities. ... Each State Party shall ensure that its chemical weapons destruction facilities are constructed and operated in a manner to ensure the destruction of the chemical weapons; and that the destruction process can be verified under the provisions of this Convention.

It decomposes when in contact with many metals, but it also is corrosive to most metals.

DHHS/ATSDR; Medical Management Guidelines (MMGs) for Phosgene Oxime (1794-86-1) (September 2007). Available from: http://www.atsdr.cdc.gov/MHMI/mmg.html as of February 26, 2008.

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: If this material is being used as a weapon, see ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2811 datasheet. Otherwise increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)|Pressure-demand, self-contained breathing apparatus (SCBA) is recommended in response situations that involve exposure to any level of phosgene oxime vapor. Personal Protective Equipment (PPE) and butyl rubber gloves must be worn at all times when skin contact with any form of the material is possible because lesions and dermal absorption may occur.|In liquid or vapor form it is highly corrosive /to skin and mucus membranes/, and it penetrates clothing and rubber readily.|Skin/Ocular Protection /for emergency rescuers/: Personal Protective Equipment (PPE) and butyl rubber gloves must be worn at all times when skin contact with any form of the material is possible because lesions and dermal absorption may occur. Phosgene oxime may attack the butyl rubber in the butyl rubber gloves and boots, which nevertheless, are expected to protect against field concentrations of phosgene oxime until they can be exchanged for fresh gloves and boots.|GENERAL INFORMATION: First Responders should use a NIOSH-certified Chemical, Biological, Radiological, Nuclear (CBRN) Self Contained Breathing Apparatus (SCBA) with a Level A protective suit when entering an area with an unknown contaminant or when entering an area where the concentration of the contaminant is unknown. Level A protection should be used until monitoring results confirm the contaminant and the concentration of the contaminant.NOTE:Safe use of protective clothing and equipment requires specific skills developed through training and experience.

If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use "alcohol" foam, dry chemical or carbon dioxide. /Toxic solids, organic, NOS/

Responders should be trained and appropriately attired before entering the Hot Zone. If the proper personal protective equipment (PPE) is not available, or if the rescuers have not been trained in its use, call for assistance in accordance with local Emergency Operational Guides (EOG).... /In the Decontamination Zone, rescuers/ should continue to wear the same level of protection as required in the Hot Zone|Decontamination or self-aid immediately after skin and ocular exposure is the only means for preventing or decreasing tissue damage since phosgene oxime is absorbed within seconds. Decontaminable gurneys and back boards should be used if available when managing casualties in a contaminated area. ... The eyes and skin must be decontaminated immediately after exposure because the agent is absorbed from the skin within seconds. Flush the eyes immediately with water for about 5 to 10 minutes by tilting the head to the side, pulling eyelids apart with fingers, and pouring water slowly into eyes. Do not cover eyes with bandages.|Persons whose clothing or skin is contaminated with liquid or solid phosgene oxime can cause secondary contamination by direct contact or through off-gassing vapor. Persons exposed only to phosgene oxime vapor pose no risk of secondary contamination. ... Before transport, all casualties must be decontaminated. ...|If contaminated patients arrive at the Emergency Department, they must be decontaminated before being allowed to enter the facility. Decontamination can take place inside the hospital only if there is a decontamination facility with negative air pressure and floor drains to contain contamination. Personnel should wear the same level of protection required in the Hot Zone. Victims who have undergone decontamination or have been exposed only to phosgene oxime vapor pose no serious risk of secondary contamination to rescuers. In such cases, Support Zone personnel require no specialized protective gear.|For more Preventive Measures (Complete) data for PHOSGENE OXIME (13 total), please visit the HSDB record page.

/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.|/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.|For more DOT Emergency Guidelines (Complete) data for PHOSGENE OXIME (8 total), please visit the HSDB record page.

Phosgene oxime is extremely irritating to the upper airways and causes pulmonary edema.

Information is unavailable about the carcinogenicity, developmental toxicity, or reproductive toxicity from chronic or repeated exposure to phosgene oxime.

Phosgene oxime is a manufactured chemical that was developed as a potential chemical warfare agent, but its use on the battlefield has never been documented. It has a disagreeable penetrating odor. Pure phosgene oxime is a colorless, crystalline solid; the munitions grade compound is a yellowish-brown liquid. Both the liquid and the solid can give off vapors at ambient temperatures.

Toxicity

The estimated LCt (the product of concentration times time that is 50 lethal to 50% of the exposed population by inhalation) is 1,500 to 2,000 mg-min/cu m.

Phosgene oxime's production may result in its release to the environment through various waste streams; its use as a potential chemical warfare agent(1) will result in its direct release to the environment.(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that phosgene oxime is expected to have high mobility in soil(SRC). Phosgene oxime is a weak acid with an estimated pKa of 6.5(3). This estimated pKa indicates phosgene oxime will partially exist as an anion in the environment. Volatilization from moist soil is not expected since anions do not volatilize and the estimated Henry's Law constant for the neutral species is 5.5X10-7 atm-cu m/mole(SRC) derived using a fragment constant estimation method(4). The potential to volatilize from dry soil surfaces exists based on a vapor pressure of 11.2 mm Hg at 25 °C(5). Phosgene oxime was reported to hydrolyze in water(6), indicating hydrolysis in moist soils may also be possible. Biodegradation data were not available(SRC, 2008).|TERRESTRIAL FATE: To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 68(SRC), determined from a structure estimation method(2), indicates that phosgene oxime is not expected to adsorb to suspended solids and sediment(SRC). Phosgene oxime is a weak acid with an estimated pKa of 6.5(3). This estimated pKa indicates phosgene oxime will partially exist as an anion in water. Volatilization from water is not expected since anions do not volatilize and the estimated Henry's Law constant for the neutral species is 5.5X10-7 atm-cu m/mole(SRC) derived using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.73(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The hydrolysis half-life of phosgene oxime at an unspecified pH and temperature was reported as 83 days(8). Biodegradation data were not available(SRC, 2008).|AQUATIC FATE: Phosgene oxime belongs to a class of agents that dissolve slowly but completely in water, and may take days to decompose once they are in solution(1). Hydrolysis is likely the most important fate of phosgene oxime in water(SRC). Volatilization from water surfaces or bioconcentration in aquatic species are not expected to be important fate processes for phosgene oxime(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), phosgene oxime, which has a vapor pressure of 11.2 mm Hg at 25 °C(2), is expected to exist solely in the vapor-phase in the ambient atmosphere. Phosgene oxime does not contain functional groups that are susceptible to degradation by reaction with photochemically generated hydroxyl radicals or ozone(3). Vapor-phase phosgene oxime may be removed from air by wet and dry deposition(SRC). Phosgene oxime does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4). Phosgene oxime belongs to a class of agents

Phosgene oxime does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to undergo direct photolysis by sunlight(1). Phosgene oxime belongs to a class of agents that produce hydrogen chloride and hydrolamines upon hydrolysis(2). The hydrolysis half-life of phosgene oxime was reported as approximately 83 days(3).

An estimated BCF of 3 was calculated for phosgene oxime(SRC), using an estimated log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Phosgene oxime belongs to a class of agents that dissolve slowly but completely in water, and may take days to decompose once they are in solution(4).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of phosgene oxime can be estimated to be 68(SRC). According to a classification scheme(2), this estimated Koc value suggests that phosgene oxime is expected to have high mobility in soil(SRC). Phosgene oxime belongs to a class of agents that are unstable and decompose rapidly in soil(3); therefore, it is likely that phosgene oxime would decompose in soil before it was able to leach to any extent(SRC).

Phosgene oxime is a weak acid with an estimated pKa of 6.5(1). This estimated pKa indicates phosgene oxime will partially exist as an anion in the environment. Volatilization from moist soil and water is not expected since anions do not volatilize and the estimated Henry's Law constant for the neutral species is 5.5X10-7 atm-cu m/mole(SRC) derived using a fragment constant estimation method(2). Phosgene oxime belongs to a class of agents that dissolve slowly but completely in water, and may take days to decompose once they are in solution(4). The potential to volatilize from dry soil surfaces exists based on a vapor pressure of 11.2 mm Hg at 25 °C(3).

Occupational exposure and exposure to the general population to phosgene oxime should be rare since this compound is solely used as a chemical warfare agent; however, it has never been known to be used on the battlefield(1).

Drug Information

It can be absorbed through the skin and eyes or by inhalation.

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)|GENERAL INFORMATION: There is no recommended therapeutic regimen for phosgene oxime. Treatment is primarily supportive. Decontamination immediately after skin and eye exposure is the only means for preventing or decreasing tissue damage since phosgene oxime is absorbed within seconds.

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Phosgene and related compounds/|Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Phosgene and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Phosgene and related compounds/|Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Blister Agents (Vesicants)/|For more Antidote and Emergency Treatment (Complete) data for PHOSGENE OXIME (8 total), please visit the HSDB record page.

/SIGNS AND SYMPTOMS/ Phosgene oxime is an urticant or nettle agent. ... Post World War II studies indicate that concentrations below 8% cause no or inconsistent effects.|/SIGNS AND SYMPTOMS/ Inhaled phosgene oxime is extremely irritating to the upper airways and causes pulmonary edema. Irritation occurs with exposures to 0.2 mg-min/cu m and becomes unbearable at 3 mg-min/cu m.|/SIGNS AND SYMPTOMS/ Direct contact with phosgene oxime results in immediate pain, irritation, and tissue necrosis. Inhalation and systemic absorption may result in pulmonary edema, necrotizing bronchiolitis, and pulmonary thrombosis. Contact with the eyes may result in severe pain, conjunctivitis, and keratitis.|/SIGNS AND SYMPTOMS/ The mechanism by which it damages tissue is unknown, but its effects are almost instantaneous and produce severe pain.|For more Human Toxicity Excerpts (Complete) data for PHOSGENE OXIME (12 total), please visit the HSDB record page.

dichloroformossina

Phosgene oxime can be absorbed into the body by inhalation, ingestion, skin contact, or eye contact. Ingestion is an uncommon route of exposure.

Immediate and incapacitating irritation, pain, and local tissue destruction of the upper airways; difficulty breathing or shortness of breath (dyspnea); and cough.


Immediate pain, whitening (blanching) of the skin surrounded by a red (erythematous) ring, local tissue death (necrosis), itching (pruritus), and hives (urticaria).


Immediate pain, inflammation of the membranes (conjunctivitis), corrosion of the cornea (keratitis), excessive tear production (lacrimation), vision loss, and temporary blindness.

Carbonimidic dichloride, hydroxy- Use and Manufacturing

Methods of Manufacturing

Action of chlorine on fulminic acid or reduction of trichloronitrosomethane with aluminum amalgam or hydrogen sulfide

Developed as a potential chemical warfare agent but has never been known to be used on the battlefield.

The M256A1 Chemical Agent Detector Kit is a portable chemical agent detector kit that can detect and identify nerve, blister, or blood agents as vapor. It is typically used to determine when it is safe to unmask after a chemical agent attack. A test disk contains a glass ampoule with compounds that react with an agent to give a color change. The ampoule is crushed, the activated test disk is exposed to the ambient air, and the disk is compared to a color chart to determine if an agent is present.|The M18A2 Chemical Agent Detector Kit uses both detector tubes and paper tickets to detect and identify dangerous concentrations of lethal chemicals agents as vapors in the air, as well as liquid chemical agent contamination on exposed surfaces. ... Each kit consists of 12 disposable sampler-detectors, one booklet of M8 paper, and a set of instruction cards ... Each sampler-detector contains a square impregnated spot for blister agents, a circular test spot for blood agents, a star test spot for nerve agents, and a Lewisite-detecting tablet and rubbing tab. There are eight glass ampoules, six containing reagents for testing and two for a chemical heater to vaporize agents at low temperatures. When the ampoules are crushed between the fingers, formed channels in the plastic sheets direct the flow of liquid reagent to wet the test spots. Each test spot or detecting tablet develops a distinctive color that indicated whether a chemical agent is or is not present in the air.

Chemical Classes -> Warfare and Terrorism Agents (used in acts of war or terror)|Blister Agents -> NIOSH Emergency Response Categories

Computed Properties

Molecular Weight:113.93
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:112.9435190
Monoisotopic Mass:112.9435190
Topological Polar Surface Area:32.6
Heavy Atom Count:5
Complexity:47.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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