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594-42-3

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Basic Information
CAS No.: 594-42-3
Name: Perchloromethylmercaptan
Article Data: 55
Molecular Structure:
Molecular Structure of 594-42-3 (Perchloromethylmercaptan)
Formula: CCl4 S
Molecular Weight: 185.889
Synonyms: (Trichloromethyl)sulfenylchloride; NSC 66404; Perchloromethanethiol; Perchloromethyl mercaptan;Trichloromethanesulfenyl chloride; Trichloromethanesulphenyl chloride;Trichloromethylsulfanyl chloride
EINECS: 209-840-4
Density: 1.7
Melting Point: -44oC
Boiling Point: 146-148 ºC
Appearance: A yellow oily liquid with an offensive odor.
Hazard Symbols:
Risk Codes: R21;R25;R26;R34   
Safety: Poison by ingestion, inhalation, and intravenous routes. A severe skin, eye, and mucous membrane irritant. When heated to decomposition it emits very toxic fumes of Cl and SOx. See also MERCAPTANS.
Transport Information: UN 1670
PSA: 25.30000
LogP: 3.20110
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    Trichloromethanesulfenyl chloride

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Chemistry

IUPAC Name: Trichloromethyl thiohypochlorite
CAS: 594-42-3
Formula: CCl4
Molecular Weight: 185.8877
Molecular Structure of Trichloromethyl thiohypochlorite (CAS NO.594-42-3):
  
Density: 1.777 g/cm
Flash Point: 53.1 °C
Boiling Point: 146-148 °C(lit.)
Boiling Point: 151.2 °C at 760 mmHg   
Index of Refraction: 1.564
Molar Refractivity: 34.04 cm
Molar Volume: 104.5 cm
Polarizability: 13.49×10-24cm3 
Surface Tension: 45.3 dyne/cm
Appearance: clear yellow liquid 
Enthalpy of Vaporization: 37.2 kJ/mol  
Vapour Pressure: 4.74 mmHg at 25°C
Water Solubility: 56.32(mg/L) at 25°C

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H SEV

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,13.
2.    

eye-rbt 50 µg/24H SEV

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,13.
3.    

orl-rat LD50:82600 µg/kg

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,13.
4.    

ihl-rat LCLo:260 mg/m3/4H

    85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,97.
5.    

ihl-mus LC50:296 mg/m3/2H

    85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,97.
6.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#06768 .
7.    

skn-rbt LD50:1410 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 42 (1977),417.

Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion, inhalation, and intravenous routes. A severe skin, eye, and mucous membrane irritant. When heated to decomposition it emits very toxic fumes of Cl and SOx. See also MERCAPTANS.
Safety Information about Trichloromethyl thiohypochlorite (CAS NO.594-42-3):
Hazard Codes:
T:
T+: 
N:  
Risk Statements about Trichloromethyl thiohypochlorite (CAS NO.594-42-3):
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R34: Causes burns.
R26: Very Toxic by inhalation.
R25: Toxic if swallowed.
R21: Harmful in contact with skin.
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements about Trichloromethyl thiohypochlorite (CAS NO.594-42-3): 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
S7/9: Keep container tightly closed and in a well-ventilated place.
S28A: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
S25: Avoid contact with eyes.
S61: Avoid release to the environment. Refer to special instructions safety data sheet.
F13: Malodorous.
F21: Sensitive to humidity.
RIDADR: UN 1670 6.1/PG 1
WGK Germany: 3
RTECS: PB0370000
HazardClass: 6.1(a)
PackingGroup: I

Standards and Recommendations

OSHA PEL: TWA 0.1 ppm
ACGIH TLV: TWA 0.1 ppm
DOT Classification:  6.1; Label: Poison

Specification

  The chemical synonyms of Trichloromethyl thiohypochlorite (CAS NO.594-42-3) are (Trichloromethane)sulfenyl chloride ; 4-03-00-00290 (Beilstein Handbook Reference) ; BRN 0506034 ; Clairsit ; EINECS 209-840-4 ; HSDB 6052 ; HSDB 886 ; Mercaptan methylique perchlore ; Mercaptan methylique perchlore [French] ; Methanesulfenic acid, trichloro-, chloride ; Methanesulfenyl chloride, trichloro- ; NSC 66404; PCM ; PMM ; Perchlorinemethylmercaptan ; Perchlormethylmerkaptan ; Perchlormethylmerkaptan [Czech] ; Perchloro-methyl-mercaptan (DOT) ; Perchloromethanethiol ; Perchloromethyl mercaptan ; Perchloromethylmercaptan ; RCRA waste number P118 ; Thiocarbonyl tetrachloride ; Trichlormethyl sulfur chloride ; Trichloromethane sulfenyl chloride ; Trichloromethanesulphenyl chloride ; Trichloromethyl sulfochloride ; Trichloromethylsulfenyl chloride ; Trichloromethylsulphenyl chloride .It may cause death or permanent injury after short exposure to small quantities, strong irritant to eyes and skin. Inhalation may cause severe irritation of the upper respiratory tract.Brief exposure to lower concentrations may produce central nervous system depression and lung, liver, and heart congestion. Severe exposures may be fatal. Exposure of eyes may lead to severe conjunctivitis or corneal damage. The liquid is irritating to the skin, and may be absorbed through the skin in quantities sufficient to cause general toxic effects. Ingestion may cause damage to mucous membranes and result in pain and burning of the mouth and throat, nausea, vomiting, cramps, and diarrhea. At high temperatures Perchloromethylmercaptan will decompose to carbon tetrachloride, sulfur chloride, heavy oil polymers, phosgene gas, hydrogen chloride, and sulfur dioxide.This product is a dye, pesticide, organic synthesis intermediates. Such as, excessive chlorine methyl mercaptan, respectively 1,2,3,6 - tetrahydro-phthalimide and phthalimide synthesis system for pesticides can be captan fungicide and folpet.