Bis(trichloromethyl) sulfone
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Bis(trichloromethyl) sulfone
structure -
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CAS No:
3064-70-8
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Formula:
C2Cl6O2S
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Chemical Name:
Bis(trichloromethyl) sulfone
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Synonyms:
Methane,1,1′-sulfonylbis[1,1,1-trichloro-;Sulfone,bis(trichloromethyl);Methane,sulfonylbis[trichloro-;1,1′-Sulfonylbis[1,1,1-trichloromethane];Bis(trichloromethyl) sulfone;Hexachlorodimethyl sulfone;N 1386;Chlorosulfona;Slimicide E;PCP 23052;NSC 21713
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CAS No:
Description
BIS (TRICHLOROMETHYL) SULFONE is an off-white powdered solid with an aromatic odor. Contact may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Bis (trichloromethyl) sulfone appears as an off-white powdered solid with an aromatic odor. Contact may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Bis (trichloromethyl) sulfone appears as an off-white powdered solid with an aromatic odor. Contact may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
Bis(trichloromethyl) sulfone Basic Attributes
300.8032
300.80
221-310-4
PTZ0QE9824
21713
1759
DTXSID3032331
Off white|Solid
2904909090
Characteristics
42.52000
4.13740
Bis (trichloromethyl) sulfone appears as an off-white powdered solid with an aromatic odor. Contact may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
1.992g/cm3
36-38 °C
76.5-78.0 °C @ Press: 0.2 Torr
125.7ºC
1.564
In water, 67 ppm, temp not specified
Do not contaminate water, food or feed by storage or disposal. ... Keep container tightly closed when not in use. Do not store near food or feedstuffs. Containers should be stored at room temperature in a dry, well-ventilated area. Store away from flammable materials, source of heat and flame, and foodstuffs. Avoid prolonged storage at temperatures above 158 deg F/70 deg C. /N-1386 Hexylene Glycol Slimicide/Fungicide/
3.1X10-3 mm Hg at 25 deg C (est)
Oral-rat LD50: 691 mg/kg; Intravenous-MouseLD50: 18 mg/kg
Decomposes and emits toxic sulfur oxides and chloride fumes when heated
Pungent aromatic
Henry's Law constant = 1.2X10-8 atm-cu m/mol at 25 °C (est)
Stable under ambient conditions. Does not react with steel or iron.
Soluble in water and more dense than water.
Halogenated Organic Compounds
BIS (TRICHLOROMETHYL) SULFONE is likely to be incompatible with strong oxidizing agents.
Safety Information
1759
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, P501
H302
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.|Improper disposal of excess pesticide, spray mixture, or rinsate is a violation of Federal law. If these wastes cannot be disposed of by use according the label instructions, contact your State Pesticide or Environmental Control Agency, or the Hazardous Waste Representative at the nearest EPA regional Office for guidance. /N-1386 Hexylene Glycol Slimicide/Fungicide/|Container Disposal: Nonrefillable container: Do not reuse or refill this container. Triple rinse as follows: Empty remaining contents into application equipment or mix tank. Tip container on its side and roll back and forth, ensuring at least one complete revolution for 30 seconds. Stand the container on its end and tip back and forth several times. Turn container over onto its other end and tip it back and forth several times. Empty rinsate into application equipment or mix tank or store rinsate into the application equipment or mix tank or store for later use or disposal. Repeat this procedure two more times. Then offer for recycling or reconditioning. If not available, puncture and dispose in a sanitary landfill. /N-1386 Hexylene Glycol Slimicide/Fungicide/
Bis(trichloromethyl)sulfone is an indirect food additive for use only as a component of adhesives. Limitation: For use as preservative only.
California Environmental Protection Agency/Department of Pesticide Regulation; Toxicology Data Review Summaries. Provides a summary of available toxicological information for pesticides currently or previously registered for use in California.[Available from, as of March 11, 2003: http://www.cdpr.ca.gov/docs/risk/toxsums/toxsumlist.htm]|USEPA/Office of Prevention, Pesticides and Toxic Substances; Reregistration Eligibility Decision Document - Bis(trichloromethyl) sulfone EPA 738-R-96-028 (September 1995). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of October 12, 2012: http://iaspub.epa.gov/apex/pesticides/f?p=CHEMICALSEARCH:1]
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)
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 76 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: SMALL FIRE: Dry chemical, CO2 or water spray. LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (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: 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)|Wear goggles or face shield (safety glasses). Wear protective clothing (long sleeve shirt and long pants, socks plus shoes and chemical resistant gloves such as waterproof glove). /N-1386 Hexylene Glycol Slimicide/Fungicide/
Do not get in eyes, on skin, or on clothing. Do not breathe spray mist. /N-1386 Hexylene Glycol Slimicide/Fungicide/|Wash hands before eating, drinking, chewing gum, using tobacco or using the toilet. /N-1386 Hexylene Glycol Slimicide/Fungicide/|Remove clothing immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing. /N-1386 Hexylene Glycol Slimicide/Fungicide/
Toxicity
highly toxic
LD50 Rat (male) oral 545 mg/kg|LD50 Rat (female) oral 535 mg/kg|LD50 Mouse iv 18 mg/kg|LD50 Rabbit dermal >5,000 mg/kg|LD50 Rat oral 691 mg/kg
Bis(trichloromethyl) sulfone's production may result in its release to the environment through various waste streams; its use as an algaecide, bacteriostat, fungicide and microbicide/microbiostat(1) will result in its direct release to the environment(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that bis(trichloromethyl) sulfone is expected to have very high mobility in soil(SRC). Volatilization of bis(trichloromethyl) sulfone from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Bis(trichloromethyl) sulfone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.1X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that bis(trichloromethyl) sulfone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.2X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 70(SRC), from its log Kow of 3.3(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Bis(trichloromethyl) sulfone did not hydrolyze in sterile aqueous solutions at pH 4, 7, or 9(6). Photodegradation half-lives of 16 days in water irradiated with a non-specified sunlamp and 6 days in water sensitized with 1% acetone were reported(6). A half-life of <0.5 days using an anaerobic aquatic biodegradation test indicates that biodegradation may be an important environmental fate process under anoxic aquatic conditions(6).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), bis(trichloromethyl) sulfone, which has an estimated vapor pressure of 3.1X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase bis(trichloromethyl) sulfone is not degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC). Bis(trichloromethyl) sulfone does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
Bis(trichloromethyl) sulfone did not hydrolyze in sterile aqueous solutions at pH 4, 7, or 9(1). In water irradiated with a non-specified sunlamp, photodegradation half-lives of 16 days in water and 6 days in water sensitized with 1% acetone were reported(1). The compound was found to dissipate in water; when added to influent of a pulp paper machine at a concentration of 484 ppb, machine effluent samples contained only 34 ppb, mill water concentrations were 7 to 8 ppb, and lagoon water concentrations were 2 ppb(1). The degradate pentachlorodimethylsulfone concentration ranged from 5 to 6 ppb in machine, mill water, and lagoon samples(1). The second degradate, hexachloroethane, was not recovered from any of the effluent sampling sites(1). Vapor-phase bis(trichloromethyl) sulfone is not degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC).
An estimated BCF of 70 was calculated in fish for bis(trichloromethyl) sulfone(SRC), using a log Kow of 3.3(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of bis(trichloromethyl) sulfone can be estimated to be 43(SRC). According to a classification scheme(2), this estimated Koc value suggests that bis(trichloromethyl) sulfone is expected to have very high mobility in soil(SRC). Freundlich constants of 6-52 mL/g indicates low mobility in the US soils tested(3).
The Henry's Law constant for bis(trichloromethyl) sulfone is estimated as 1.2X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that bis(trichloromethyl) sulfone is expected to be essentially nonvolatile from moist soil and water surfaces(2). Bis(trichloromethyl) sulfone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.1X10-3 mm Hg(SRC), determined from a fragment constant method(3).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 550 workers (none of these were female) were potentially exposed to bis(trichloromethyl) sulfone in the US(1). The NOES Survey does not include farm workers. Occupational exposure to bis(trichloromethyl) sulfone may occur through dermal contact with this compound at workplaces where bis(trichloromethyl) sulfone is produced or used. Use data indicate that the general population is unlikely to be exposed to bis(trichloromethyl) sulfone because it is primarily used in industrial systems(SRC).
Drug Information
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)
/SRP:/ 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 if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the 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. /Poisons A and B/|/SRP:/ 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 needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock 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 ... . /Poisons A and B/|/SRP:/ 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 ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's 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 ... . /Poisons A and B/
bis(trichloromethyl)sulfone
Bis(trichloromethyl) sulfone Use and Manufacturing
Combinations of Bis(trichloromethyl)sulfone, (Hexachlorodimethyl sulfone) and 1,2-Dibromo-2,4-dicyanobutane are shown to have synergistic antimicrobial properties. The synergistic compounds may be used together with a third microbiocide to enhance the compound’s effectiveness against a wide variety of bacteria, molds, and yeasts and other microorganisms.
Soluble concentrate/liquid, Liquid-ready to use, Soluble concentrate/solid.|Nalcon 7642 (Nalco Company) Bis(trichloromethyl) sulfone 3.33%, Alkyl* dimethyl benzyl ammonium chloride (*60�4, 30�6, 5�8, 5�2) 30.5%, Dialkyl* methyl benzyl ammonium chloride *(60�4, 30�6, 5�8, 5�2) 0.12%.|N-1386 Technical (Lanxess Corporation) Bis(trichloromethyl) sulfone 98%.|N-1386 Hexylene Glycol (Lanxess Corporation) Bis(trichloromethyl) sulfone 35%.|For more Formulations/Preparations (Complete) data for Bis(TRICHLOROMETHYL) SULFONE (10 total), please visit the HSDB record page.
Methane, 1,1'-sulfonylbis[1,1,1-trichloro-: ACTIVE
Computed Properties
Molecular Weight:300.8
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:299.772066
Monoisotopic Mass:297.775017
Topological Polar Surface Area:42.5
Heavy Atom Count:11
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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