107-14-2

107-14-2 - Names and Identifiers

Name	Chloroacetonitrile
Synonyms	usafkf-5 USAF kf-5 oroacetonitriL CHLORACETONITRILE Chlorocyanomethane Chloroacetonitrile chlorocyanomethane 2-chloroacetonitrile chloromethyl cyanide chloroethane nitrile dichloroethanenitrile monochloroacetonitrile Monochloroacetonitrile monochloromethylcyanide monochloromethyl cyanide alpha-chloroacetonitrile Monochloromethyl cyanide
CAS	107-14-2
EINECS	203-467-0
InChI	InChI=1/C2H2ClN/c3-1-2-4/h1H2
InChIKey	RENMDAKOXSCIGH-UHFFFAOYSA-N

107-14-2 - Physico-chemical Properties

Molecular Formula	C2H2ClN
Molar Mass	75.5
Density	1.193 g/mL at 25 °C (lit.)
Melting Point	38℃
Boling Point	124-126 °C (lit.)
Flash Point	118°F
Water Solubility	INSOLUBLE
Solubility	Chloroform, Ethyl Acetate
Vapor Presure	1.78 psi ( 20 °C)
Vapor Density	3 (vs air)
Appearance	Liquid
Color	Clear colorless
Exposure Limit	NIOSH: IDLH 14 ppm(25 mg/m3)
BRN	506028
Storage Condition	2-8°C
Stability	Stable, but reacts with water. Combustible. Incompatible with water, moisture, strong oxidizing agents, acids.
Refractive Index	n20/D 1.422(lit.)
Physical and Chemical Properties	Colorless transparent fuming liquid, irritating and irritating. melting point 38 ℃ boiling point 124~126 ℃ relative density 1.1930 refractive index 1.4202 flash point 47 ℃ solubility: soluble in alcohol and ether.
Use	Used as a pharmaceutical Intermediate

107-14-2 - Risk and Safety

Risk Codes	R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Description	S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets.
UN IDs	UN 2668 6.1/PG 2
WGK Germany	3
RTECS	AL8225000
TSCA	Yes
HS Code	29269095
Hazard Class	6.1
Packing Group	II

107-14-2 - Upstream Downstream Industry

Downstream Products

Phentolamine Mesylate

107-14-2 - Nature

Open Data Verified Data

colorless transparent fuming liquid, irritating and irritating. Melting point 38. Boiling point 124~126 ℃,127 ℃ decomposition, relative density of 1. 1930. Refractive index 4202. Flash point 47. Soluble in ethanol and ether. Toxic.

Last Update：2025-06-10 22:55:16

107-14-2 - Preparation Method

Open Data Verified Data

used as a raw material for organic synthesis and an analytical reagent.

Last Update：2022-01-01 10:36:54

107-14-2 - Preparation Method

Open Data Verified Data

with ethanol, chloroacetic acid as raw material, by esterification, amidation, dehydration and. First, chloroacetic acid was added to ethanol, and concentrated sulfuric acid was added under stirring. After heating to reflux, the stirring was stopped, the reaction was carried out for 8-10 H, and the aqueous layer was separated by filtration and water washing to obtain ethyl chloroacetate. Then in
Ethyl chloroacetate was added to ammonia water at 0~2 ℃, and the mixture was stirred for 15 min. After cooling, standing, filtering and drying, chloroacetamide was obtained. Finally, phosphorus pentoxide was added into chloroacetamide and heated for dehydration reaction to obtain crude chloroacetonitrile, which was then dried with phosphorus pentoxide and magnesium oxide and fractionated under reduced pressure to obtain a finished product.

Last Update：2024-01-02 23:10:35

107-14-2 - Safety

Open Data Verified Data

This product is toxic and has the effect of stimulating the tear. It should be stored and transported under the hazard Code No. 84045.

Last Update：2022-01-01 10:36:55

107-14-2 - Reference Information

LogP	0.45
NIST chemical information	information provided by: webbook.nist.gov (external link)
(IARC) carcinogen classification	3 (Vol. 52, 71) 1999
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Product characteristics	chloroacetonitrile is also known as "methyl chloride cyanide". Chemical formula ClCH2CN. Molecular weight 75.50. Colorless fuming liquid. The melting point of 38 deg C, the boiling point of 126~127 deg C (decomposition), 30~32 deg C (2.0kPa), the relative density of 1.1930, the refractive index of 1.420225. Soluble in ether, alcohol and hydrocarbons, insoluble in water. Extremely toxic. It can form adducts with aluminum trichloride, and can react with various reagents such as trimethyl isophorol, methoxyacetophenone, Grignard reagent, anhydrous hydrogen chloride and the like. It can be obtained by dehydration of chloroacetamide under the action of phosphorus pentoxide, or by reaction of excess acetonitrile with chlorine at 460 ° C., and by introducing ammonia gas into diethyl ether solution of dichloroacetylene. Chloroacetonitrile may be used as the fumigant. fumigant refers to a class of pesticides that use vapors generated during volatilization to poison harmful organisms. In the form of gaseous molecules into the body of harmful organisms and poisoning, there are different from the gasification of liquid, solid or compressed gas. The dosage used is calculated according to the space volume of the fumigation site (unit: g/m 3), and the concentration is calculated according to the fumigation time, the degree of sealing of the fumigation site, the amount of fumigant to be fumigant and the adsorption capacity of the fumigant vapor are determined. It should be applied under the condition that the warehouse, curtain, house, carriage and cabin can be closed or close to the closed condition, and under the condition that a large number of fumigated objects are concentrated, can effectively eliminate hidden pests or germs. The vapor of the fumigant generally enters the respiratory system directly through the epidermis or valve of the pest, thus penetrating into the blood to poison the pest. Its insecticidal action is generally believed to lie in the chemical action on the enzyme. Such as methyl bromide can be combined with the hydrogen sulfate group, so that a variety of enzymes in the body of the pest to produce reverse and irreversible inhibition. Phosphine inhibits the animal's central nervous system, stimulating the lungs to cause edema, resulting in heart swelling syndrome. Trichloroethane, dibromoethane, carbon tetrachloride and other fumigants are mainly anesthetics, carbon dioxide is mainly from the role of suffocation.
Use	is used as a raw material for organic synthesis and an analytical reagent. used as a pharmaceutical intermediate used as a pesticide and an intermediate in organic synthesis used in organic synthesis and as an analytical reagent.
production method	by chloroacetic acid and ethanol reaction to generate ethyl chloroacetate, and then with ammonia reaction to generate chloroacetamide, and finally dehydration obtained: chloroacetic acid was added to ethanol, and concentrated sulfuric acid was added under stirring. After heating to reflux, the stirring was stopped, and the reaction was carried out for 8-10 hours. This was added to ammonia water at 0-2 ° C., the temperature not exceeding 15 ° C., stirred for 10-15min after the addition, cooled, allowed to stand, filtered, and dried to obtain chloroacetamide. Then, phosphorus pentoxide was added to the chloroacetamide, and the mixture was heated for dehydration. The chloroacetonitrile was distilled off while heating, and finally the chloroacetonitrile was distilled off under reduced pressure. The obtained crude product was dried with phosphorus pentoxide and magnesium oxide, and fractionated under reduced pressure to obtain a finished product.
category	toxic substances
toxicity grade	high toxicity
Acute toxicity	oral-rat LD50: 220 mg/kg; Oral-mouse LD50: 139 mg/kg
stimulation data	Skin-rabbits 14 mg/24 h mild; eye-rabbit 20 mg/24 h moderate
flammability hazard characteristics	open flame flammability; Thermal decomposition of toxic nitrogen compounds, chloride and cyanide gases
storage and transportation characteristics	The warehouse is ventilated and dried at low temperature, separate storage of food additives
extinguishing agent	dry powder, dry stone powder, carbon dioxide, sand. The acid-base extinguishing agent is not allowed.
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)
immediate life-and health-threatening concentrations	14 ppm