ChemicalBook--->CAS DataBase List--->79-04-9

79-04-9

79-04-9 Structure

79-04-9 Structure
IdentificationMore
[Name]

Chloroacetyl chloride
[CAS]

79-04-9
[Synonyms]

2-CHLOROACETYL CHLORIDE
AKOS BBS-00004327
CHLORACETYL CHLORIDE
Chloroacetic ahloride
CHLOROACETYL CHLORIDE
MONO CHLORO ACETYL CHLORIDE
Acetylchloride,chloro-
alpha-Chloroacetyl chloride
CH2ClCOCl
chloracetyl
Chlorid kyseliny chloroctove
chloridkyselinychloroctove
Chloroacetic acid chloride
Chloroacetic chloride
chloroaceticacidchloride
chloroaceticchloride
chloroacetyl
chloro-acetylchlorid
Chloroethanoyl chloride
Chlorure de chloracetyle
[EINECS(EC#)]

201-171-6
[Molecular Formula]

C2H2Cl2O
[MDL Number]

MFCD00000725
[Molecular Weight]

112.94
[MOL File]

79-04-9.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chlorine-->Sulfur-->Zinc chloride-->Chlorosulfonic acid-->Chloroacetic acid-->Benzoyl chloride-->Phosgene-->Acetyl ketene-->Sulfur dichloride-->Molybdenum disulfide-->Methane
[Preparation Products]

Praziquantel-->Azasetron hydrochloride-->FLURAZEPAM-->Anilofos-->Metolachlor-->7-chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate-->Pirenzepine-->N-Methyl-N-phenyl-2-piperazin-1-ylacetamide-->2-Chloroacetophenone-->Demoxepam-->Propachlor-->Diazapam-->6-Chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline-->2-Amino-3-cyano-4-chloro-5-formylthiophene-->Diclofenac sodium-->Propacetamol-->Pretilachlor-->Nitrazepam-->2-Chloro-N,N-dimethylacetamide-->6-Nitro-2H-1,4-benzoxazin-3(4H)-one-->Chlorotrianisene-->Lidocaine-->Estazolam-->D-Threonine-->Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate-->Bonnecor-->Morphothion emulsion-->Benzyl 2-chloroacetate-->2-Amino-1-morpholin-4-yl-ethanone HCl-->Chloromethylacetamide-->D-Serine-->Lidocaine hydrochloride-->2,2',4'-Trichloroacetophenone-->2-Chloro-N-(2,6-dimethylphenyl)acetamide-->5-Methylthianaphthene-->Lorazepam-->N-(2-benzoyl-4-nitrophenyl)-2-chloroacetamide-->D-Tyrosine-->4-(Acetylamino)phenyl chloroacetate-->tert-Butyl chloroacetate
Hazard InformationBack Directory
[General Description]

A colorless to light yellow liquid with a very pungent odor. Very toxic by inhalation. Corrosive to metals and tissue.
[Reactivity Profile]

CHLOROACETYL CHLORIDE reacts rapidly with water. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
[Hazard]

Irritant to eyes, corrosive to skin. Upper respiratory tract irritant.
[Health Hazard]

Inhalation causes severe irritation of upper respiratory system. External contact causes severe irritation of eyes and skin. Ingestion causes severe irritation of mouth and stomach.
[Potential Exposure]

Highly toxic by inhalation. Chloroacetyl chloride is used in the manufacture of acetophenone. It is used in the manufacture of a number of pesticides including: alachlor, allidochlor, butachlor, dimethachlor, formothion, mecarbam, metolachlor, propachlor. It is also used in the manufacture of pharmaceuticals, such as chlordiazepoxide hydrochloride, diazepam, lidocaine, mianserin.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. If victim is conscious, administer water or milk. Do not induce vomiting. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN1752 Chloroacetyl chloride, Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 8-Corrosive material, Inhalation Hazard Zone B.
[Incompatibilities]

Reacts violently with water, steamforming chloroacetic acid and hydrogen chloride gas. Reacts with alcohols, powdered metals; sodium amide; combustibles; and many organics, causing toxic fumes, fire, and explosion hazard. On contact with air it emits corrosive gas. Decomposes when heated forming phosgene gas. Corrosive to metals.
[Description]

Chloroacetyl chloride is a colorless to yellowish liquid with a very pungent, extremely irritating, odor.Molecular weight=112.95; Specific gravity (H2O:1) 51.42; Boiling point=105℃; Freezing/Meltingpoint=222℃; Vapor pressure=19 mmHg at 20℃.NFPA 704 M Rating System: Health 3, Flammability 1,Reactivity 1 . Reacts violently with water.
[Chemical Properties]

Chloroacetyl chloride is a colorless to yellowish liquid with a very pungent, extremely irritating, odor.
[Chemical Properties]

Clear colorless liquid
[Waste Disposal]

It may be discharged into sodium bicarbonate solution, then flushed to the sewer with water.
[Uses]

In the synthesis of organic compounds.
[Uses]

Intermediate in manufacture of chloroacetophenone and various other chemicals
[Application]

Chloroacetyl chloride can be used for chloroacetylation and chemical modification of poly(glycidyl methacrylate).
Chloroacetyl chloride was used to study the in vitro metabolism of chloroacetamide herbicides by rat and human liver microsomes. Chloroacetyl chloride was used in the synthesis of some novel quinoline derivatives having antileishmanial activity.
[Preparation]

Chloroacetyl chloride is usually manufactured from chloroacetic acid by reaction with phosphorus trichloride, thionyl chloride, sulfuryl chloride, or phosgene. It is also obtained by chlorination of acetyl chloride in the presence of stronger aliphatic acids, preferably chloroacetic acids, or from sodium chloroacetate and the usual chlorinating agents.
Koenig G et al; Chloroacetic Acids. Ullmann's Encyclopedia of Industrial Chemistry 7th ed. (1999-2018). NY, NY: John Wiley & Sons. Online Posting Date: October 15, 2012
[Carcinogenicity]

Chloroacetyl chloride was not genotoxic in a number of assays.
[storage]

Chloroacetyl chloride must carry a“CORROSIVE” label. It falls in Hazard Class 8 andPacking Group I.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

chloroacetyl chloride(79-40-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Chloroacetyl chloride(79-04-9)MS
Chloroacetyl chloride(79-04-9)1HNMR
Chloroacetyl chloride(79-04-9)13CNMR
Chloroacetyl chloride(79-04-9)IR1
Chloroacetyl chloride(79-04-9)IR2
Chloroacetyl chloride(79-04-9)IR3
Chloroacetyl chloride(79-04-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Chloroacetyl chloride, 98%(79-04-9)
[Alfa Aesar]

Chloroacetyl chloride, 98%(79-04-9)
[Sigma Aldrich]

79-04-9(sigmaaldrich)
[TCI AMERICA]

Chloroacetyl Chloride,>98.0%(GC)(T)(79-04-9)
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