79-04-9

Name Chloroacetyl chloride
CAS 79-04-9
EINECS(EC#) 201-171-6
Molecular Formula C2H2Cl2O
MDL Number MFCD00000725
Molecular Weight 112.94
MOL File 79-04-9.mol

Chemical Properties

Definition A lachrymator.
Appearance Chloroacetyl chloride is a colorless to yellowish liquid with a very pungent, extremely irritating, odor.
Melting point  −22 °C(lit.)
Boiling point  105-106 °C(lit.)
density  1.419 g/mL at 20 °C
vapor density  3.9 (vs air)
vapor pressure  60 mm Hg ( 41.5 °C)
refractive index  n20/D 1.453(lit.)
Fp  >100°C
storage temp.  Store at RT.
solubility  Miscible with ethyl ether, acetone, benzene and carbon tetrachloride.
form  Liquid
color  Clear colorless to slightly yellow
Odor strong pungent odor
Stability: Stable. Incompatible with strong bases, alcohols, strong oxidizing agents. May react violently on exposure to water or moisture.
Water Solubility  reacts
FreezingPoint  -22.5℃
Sensitive  Moisture Sensitive
Merck  14,2067
BRN  605439
Henry's Law Constant 2.9×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017)
Exposure limits ACGIH: TWA 0.05 ppm; STEL 0.15 ppm (Skin)
NIOSH: IDLH 1.3 ppm; TWA 0.05 ppm(0.2 mg/m3)
InChI 1S/C2H2Cl2O/c3-1-2(4)5/h1H2
InChIKey VGCXGMAHQTYDJK-UHFFFAOYSA-N
SMILES ClCC(=O)Cl
CAS DataBase Reference 79-04-9(CAS DataBase Reference)
NIST Chemistry Reference Acetyl chloride, chloro-(79-04-9)
EPA Substance Registry System 79-04-9(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS05,GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H301+H311+H331-H314-H372-H400
Precautionary statements  P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P314
Hazard Codes  T,C,N
Risk Statements 
R14:Reacts violently with water.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R35:Causes severe burns.
R48/23:Toxic: danger of serious damage to health by prolonged exposure through inhalation .
R50:Very Toxic to aquatic organisms.
Safety Statements 
S9:Keep container in a well-ventilated place .
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) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S7/8:Keep container tightly closed and dry .
OEB C
OEL TWA: 0.05 ppm (0.2 mg/m3)
RIDADR  UN 1752 6.1/PG 1
WGK Germany  3
RTECS  AO6475000
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  I
HS Code  29159000
Storage Class 6.1A - Combustible, acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Eye Dam. 1
Skin Corr. 1A
STOT RE 1
Safety Profile
Poison by ingestion and intravenous routes. Mildly toxic by inhalation. Corrosive. A lachrymator. When heated to decomposition it emits toxic fumes of Cl-.
Hazardous Substances Data 79-04-9(Hazardous Substances Data)
IDLA 1.3 ppm (6 mg/m3)

Hazard Information

Material Safety Data Sheet(MSDS)

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