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Home > Encyclopedia > S-Propyl carbonochloridothioate

S-Propyl carbonochloridothioate

S-Propyl carbonochloridothioate structure

S-Propyl carbonochloridothioate 

structure
  • CAS No:

    13889-92-4

  • Formula:

    C4H7ClOS

  • Chemical Name:

    S-Propyl carbonochloridothioate

  • Synonyms:

    Carbonochloridothioic acid,S-propyl ester;Formic acid,chlorothio-,S-propyl ester;S-Propyl carbonochloridothioate;Propyl chlorothioformate;S-Propyl chlorothioformate;S-Propyl thiochloroformate;NSC 72086

Description

Blackish-brown liquid. (NTP, 1992)


Blackish-brown liquid. (NTP, 1992)

S-Propyl carbonochloridothioate Basic Attributes

138.62 g/mol

138.62

237-656-4

S8YPJ4718Q

72086

2920

DTXSID8025963

Amber-colored liquid

Characteristics

42.4 Ų

0.1 (est).

1.1 g/cm3

155 °C

144 °F (NTP, 1992)|63 °C

less than 1 mg/mL at 68° F (NTP, 1992)|INSOL IN WATER|Soluble in dichloroethane.

Containers should be stored in a cool, dry, well-ventilated area. Store away from flammable materials, sources of heat and flame and foodstuffs. Exercise due caution to prevent damage to or leakage from the container.

178.8 mm Hg at 100 °F (NTP, 1992)|6.27 mm Hg at 25 °C.

4.8 (AIR= 1)

Penetrating

Sensitive to moisture (NTP, 1992). Slowly hydrolyzed. Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

S-(N-PROPYL)CHLOROTHIOFORMIC ACID reacts exothermically with acids. May generate hydrogen sulfide with acids. Strong oxidizing agents may cause vigorous reactions that are sufficiently exothermic to ignite the reaction products. Reacts exothermically with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

Safety Information

This material is acidic in nature and is not compatible with strong bases or water. It reacts with amino-, amido-, hydroxyl- or mercapto groups.

ITC/USEPA; Information Review #331 (Draft) S-(n-propyl) Chlorothioformate (1983)

This chemical is combustible. (NTP, 1992)

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. 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)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)|Firefighters should wear full-face, self-contained breathing apparatus and impervious clothing such as gloves, hoods, suits and rubber boots.

This material is considered combustible.

Use water, dry chemicals, foam or carbon dioxide. If drums are not leaking, keep cooled with a water spray. High pressure water hose may spread product from broken containers increasing contamination hazards. Use of contaminated buildings, areas and equipment must be prevented until they are properly decontaminated.

Vapors are extremely irritating to the respiratory tract and may cause breathing difficulty and pulmonary edema. Symptoms may be delayed several hours or longer depending on exposure.

Soak up pooled liquid with a suitable neutralizing absorbent, such as dry calcium hydroxide. Exercise caution during the neutralization as considerable heat may be generated. Place the absorbed material into a suitable chemical waste container. Apply diethanolamine (DEA) to the spill area and allow to stand for 5 min. Using wet towels, wipe up the DEA. Flush the spill area to remove residual DEA.

Lachrymator.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

LD50 rat po 1129 mg/kg; toxic effects: eye, skin, and behavioral symptoms|LD50 rabbit dermal 4500 mg/kg

Atmospheric: photolysis and hydrolysis in water droplets should rapidly destroy the cmpd in the atmosphere.|S-(n-propyl) chlorothioformate is likely to have minimal environmental release. The manufacture of the cmpd should take place in a closed system. Use of this cmpd as an intermediate in preparation of pesticides is likely to also occur in a closed system.|Atmospheric: ... based on its estimated volatility the cmpd could move into the atmosphere.

Hydrolysis rate constant of s-(n-propyl) chlorothioformate is 29.6 x 10-4; half-life (min) 3.9 in water at 4.6 °C.|S-(n-propyl) chlorothioformate hydrolyzes to produce n-propyl mercaptan.

Based on its octanol/water partition coefficient S-(n-propyl) Chlorothioformate is not expected to bioconcentrate.

Drug Information

ACUTE/CHRONIC HAZARDS: This compound may be corrosive and may cause lachrymation. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

Ingestion: do not induce vomiting. Immediately give large quantities of water. If vomiting does occur, give fluids again. Never give anything by mouth to an unconscious person.|Skin contact; Immediately remove contaminated clothing, wiping away excess material from the skin. Under a safety shower, flush all affected areas with large amounts of water for at least 15 min. Do not attempt to neutralize with chemical agents.|Eye contact: Immediately flush the eyes with large quantities of water for a minimum of 15 min. Hold the eyelids apart during the flushing to ensure rinsing of the entire surface of the eye and lids with water. Do not attempt to neutralize with chemical agents. Obtain medical attention as soon as possible. Oils or ointments should not be used. Continue the flushing for an additional 15 minutes if the physician is not immediately available.|Inhalation: Remove from contaminated atmosphere. If breathing has ceased, clear the victim's airway and start mouth-to-mouth artificial respiration, which may be supplemented by the use of a bag-mask respirator or a manually-triggered, oxygen supply capable of delivering one l/sec or more. If the victim is breathing, oxygen may be delivered from a demand-type or continuous-flow inhalator, preferably with a physician's advice

S-Propyl carbonochloridothioate Use and Manufacturing

Uses

Manufacture of thiocarbamate pesticides.|Synthetic intermediate used to produce derivatives of thiolformate.|Compound is used as an intermediate in the manufacture of herbicides.

Production

1-10 million pounds produced in 1977; current annual production is 1-10 million pounds.

The pesticide products, which appear to be vernolate and pebulate, are marketed by Stauffer under the trade names Vernam and PEBC, respectively.

Carbonochloridothioic acid, S-propyl ester: INACTIVE

Computed Properties

Molecular Weight:138.62
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:137.9906137
Monoisotopic Mass:137.9906137
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:64.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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