Chloroacetonitrile

Base Information Edit

Chemical Name:Chloroacetonitrile
CAS No.:107-14-2
Deprecated CAS:1867-10-3
Molecular Formula:C2H2ClN
Molecular Weight:75.4976
Hs Code.:29269095
European Community (EC) Number:203-467-0,694-285-4
ICSC Number:0844
NSC Number:6180
UN Number:2668
UNII:CN524K9DXD
DSSTox Substance ID:DTXSID7021524
Nikkaji Number:J4.056H
Wikipedia:Chloroacetonitrile
Wikidata:Q2196683
ChEMBL ID:CHEMBL3187297
Mol file:107-14-2.mol

Synonyms:chloroacetonitrile

Suppliers and Price of Chloroacetonitrile

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Chloroacetonitrile
100g
$ 180.00

TRC
Chloroacetonitrile
10g
$ 55.00

Sigma-Aldrich
Chloroacetonitrile 99%
5g
$ 25.40

Sigma-Aldrich
Chloroacetonitrile 99%
100g
$ 46.10

Sigma-Aldrich
Chloroacetonitrile 99%
500g
$ 135.00

Oakwood
Chloroacetonitrile 99%
1Kg
$ 140.00

Oakwood
Chloroacetonitrile
100g
$ 35.00

Oakwood
Chloroacetonitrile
25g
$ 15.00

Oakwood
Chloroacetonitrile
500g
$ 90.00

Oakwood
Chloroacetonitrile 99%
4Kg
$ 430.00

Total 101 raw suppliers

Chemical Property of Chloroacetonitrile Edit

Chemical Property:

Appearance/Colour:Colorless transparent liquid
Vapor Pressure:1.78 psi ( 20 °C)
Melting Point:38 ºC
Refractive Index:n20/D 1.422(lit.)
Boiling Point:126.5 ºC at 760 mmHg
Flash Point:47.8 ºC
PSA：23.79000
Density:1.138 g/cm³
LogP:0.74878
Storage Temp.:2-8°C
Solubility.:Chloroform, Ethyl Acetate
Water Solubility.:INSOLUBLE
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:74.9875768
Heavy Atom Count:4
Complexity:41.2
Transport DOT Label:Poison Inhalation Hazard Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Chloroacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 23/24/25-51/53
Safety Statements: 45-61

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:C(C#N)Cl
Inhalation Risk:A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the cellular respiration. This may result in cyanosis. The effects may be delayed. Medical observation is indicated.
Uses 1. It can be used as raw material of organic synthesis and analytical reagents. 2. It can be used as pharmaceutical intermediates, pesticides. Fumigant, intermediate. Chloroacetonitrile is used in the electrochemical synthesis of cyanoacetic acid with carbon dioxide. It is involved in phase-transfer-catalyzed Darzen's condensation reaction with cyclohexanone. It is also used as an eluent additive in thermospray liquid chromatography/mass spectrometry. Further, it is used to prepare polysubstituted pyrido[1,2-a]benzimidazole by reacting with other reactant such as malononitrile, aromatic aldehyde and pyridine.
Production method It can be obtained through: chloroacetic acid is reacted with ethanol to generate ethyl chloroacetate, which then generate chloroacetamide through reaction with ammonia; finally have dehydration to get it. Detailed process: add trichloroacetic acid to the ethanol; add under stirring of concentrated sulfuric acid; the stirring was stopped after heating reflux; have the reaction for 8-10 h, filter and wash with water, separate out the water layer to obtain ethyl chloroacetate. Add it to the ammonia of 0-2 ℃ with the temperature being not exceed 15 ℃; sir for 10 to 15 mins after finishing adding added, cool, stand, filtrate and dry to obtain the chloroacetamide. Then, to the chloroacetamide, add phosphorus pentoxide and perform thermal dehydration with heating and distilling chloroacetonitrile out simultaneously; finally perform distillation under reduced pressure to evaporate out all the chloroacetonitrile. The resulting crude product is hydrated using phosphorus pentoxide and magnesium sulfate with vacuum distillation to derive the finished products.

Technology Process of Chloroacetonitrile

There total 35 articles about Chloroacetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%