594-42-3

Name Perchloromethylmercaptan
CAS 594-42-3
EINECS(EC#) 209-840-4
Molecular Formula CHCl3S
MDL Number MFCD00037054
Molecular Weight 151.44
MOL File 594-42-3.mol

Chemical Properties

Appearance Perchloromethyl mercaptan is a pale yellow oily liquid with a foul-smelling, unbearable, acrid odor
Boiling point  146-148 °C(lit.)
density  1.7 g/mL at 25 °C(lit.)
vapor density  6.41 (vs air)
vapor pressure  2.02 psi ( 20 °C)
refractive index  n20/D 1.537(lit.)
storage temp.  -20°C Freezer
solubility  Chloroform, Ethyl Acetate
form  Liquid
color  Clear yellow
Henry's Law Constant 4.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI 1S/CCl4S/c2-1(3,4)6-5
InChIKey RYFZYYUIAZYQLC-UHFFFAOYSA-N
SMILES ClSC(Cl)(Cl)Cl
Uses
Organic synthesis, dye intermediate, fumigant.
CAS DataBase Reference 594-42-3(CAS DataBase Reference)
NIST Chemistry Reference Methanesulfenyl chloride, trichloro-(594-42-3)
EPA Substance Registry System 594-42-3(EPA Substance)

Safety Data

Hazard Codes  T,T+,N
Risk Statements 
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 
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 .
S25:Avoid contact with eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
OEB C
OEL TWA: 0.1 ppm (0.8 mg/m3)
RIDADR  UN 1670 6.1/PG 1
WGK Germany  3
RTECS  PB0370000
F  13-21
TSCA  TSCA listed
REACH Registrations Inactive
HazardClass  6.1(a)
PackingGroup  I
HS Code  29309099
Storage Class 6.1B - Non-combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Inhalation
Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Eye Dam. 1
Skin Corr. 1B
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 Cland SOx. See also MERCAPTANS
Hazardous Substances Data 594-42-3(Hazardous Substances Data)
IDLA 10 ppm

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information