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Substance Name: Trichloromethanesulfenyl chloride
RN: 594-42-3
UNII: KK489OII9M
InChIKey: RYFZYYUIAZYQLC-UHFFFAOYSA-N

Note

  • A highly toxic volatile inhalation poison.

Molecular Formulas

  • C-Cl3-F
  • C-Cl4-S
  • C-H-Cl3-S

Molecular Weight

  • 185.889
 

Classification Codes

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.1 ppm)
  • TWA 0.1 ppm (0.8 mg/m3)

Names and Synonyms

Name of Substance

  • Trichloromethanesulfenyl chloride
  • Trichloromethylsulfenyl chloride

Synonyms

  • (Trichloromethane)sulfenyl chloride
  • 4-03-00-00290 (Beilstein Handbook Reference)
  • BRN 0506034
  • Clairsit
  • EC 209-840-4
  • 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
  • Perchlorinemethylmercaptan
  • Perchlormethylmerkaptan
  • Perchlormethylmerkaptan [Czech]
  • Perchloro-methyl-mercaptan (DOT)
  • Perchloromethanethiol
  • Perchloromethyl mercaptan
  • Perchloromethylmercaptan
  • PMM
  • RCRA waste number P118
  • Thiocarbonyl tetrachloride
  • Trichlormethyl sulfur chloride
  • Trichloromethane sulfenyl chloride
  • Trichloromethanesulphenyl chloride
  • TRICHLOROMETHYL MERCAPTAN
  • Trichloromethyl sulfochloride
  • Trichloromethylsulfenyl chloride
  • Trichloromethylsulphenyl chloride
  • UNII-KK489OII9M

Systematic Names

  • Methanesulfenyl chloride, trichloro-
  • Trichloromethanesulfenyl chloride
  • Trichloromethanesulphenyl chloride

Superlist Names

  • Methanesulfenyl chloride, trichloro-
  • Perchloromethyl mercaptan
  • Perchloromethyl mercaptan [UN1670] [Poison]
  • Perchloromethylmercaptan
  • RCRA waste no. P118
  • Thiocarbonyl tetrachloride
  • Trichloromethane sulphuryl chloride
  • Trichloromethanesulfenyl chloride
  • Trichloromethyl sulphochloride
  • UN1670

Registry Numbers

CAS Registry Number

  • 594-42-3

FDA UNII

  • KK489OII9M

Other Registry Numbers

  • 20434-91-7
  • 344328-67-2
  • 75-70-7

System Generated Number

  • 0000594423

Structure Descriptors

InChI

1S/CCl4S/c2-1(3,4)6-5

InChIKey

RYFZYYUIAZYQLC-UHFFFAOYSA-N

Smiles

C(SCl)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 500uL/kg (0.5mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0533569,
mouse LC50 inhalation 296mg/m3/2H (296mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 97, 1982.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg) GASTROINTESTINAL: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533569,
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06768,
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533569,
rabbit LD50 skin 1410mg/kg (1410mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 11ppm/1H (11ppm)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LD50 intraperitoneal 25mg/kg (25mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533569,
rat LD50 oral 82600ug/kg (82.6mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 13, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 147.5 deg C   EXP
log P (octanol-water) 3.470 (none)   EST
Water Solubility 56.3 mg/L 25 EST
Vapor Pressure 3 mm Hg 20 EXP
Henry's Law Constant 2.41E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.