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Merck
CN

C19651

Chloroacetonitrile

99%

Synonym(s):

α-Chloroacetonitrile, 2-Chloroacetonitrile, Chloromethyl cyanide, Cyanomethyl chloride, Monochloroacetonitrile

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About This Item

Linear Formula:
ClCH2CN
CAS Number:
107-14-2
Molecular Weight:
75.50
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892453
EC Number:
203-467-0
Beilstein/REAXYS Number:
506028
MDL number:
MFCD00001885
Assay:
99%
Form:
liquid

Key Documents

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Product Name

Chloroacetonitrile, 99%

InChI key

RENMDAKOXSCIGH-UHFFFAOYSA-N

InChI

1S/C2H2ClN/c3-1-2-4/h1H2

SMILES string

ClCC#N

vapor density

3 (vs air)

vapor pressure

1.78 psi ( 20 °C)

assay

99%

form

liquid

refractive index

n20/D 1.422 (lit.)

bp

124-126 °C (lit.)

density

1.193 g/mL at 25 °C (lit.)

Quality Level

200

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Application

Chloroacetonitrile can be used:
  • For the synthesis of ionic liquids containing nitrile functionalized imidazolium salts.
  • For the synthesis of cyanomethyl dodecyl trithiocarbonate, a reversible addition-fragmentation chain transfer (RAFT) agent.
  • As an alkylating reagent for the synthesis of derivatives of triazolyl thiazoles to be used as anti-tuberculosis agents.
  • As a reagent in photo Meerwein addition reaction for amino-arylation of alkenes.
  • As an esterifying agent in the synthesis of a cytotoxic natural product: apicularen A.

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Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

129.2 °F

flash_point_c

54 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCS8581
MKCS1049
MKCL6178
MKCH9444
MKCF5932

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Synthesis of new S-derivatives of clubbed triazolyl thiazole as anti-Mycobacterium tuberculosis agents.
Shiradkar MR, et al.
Bioorganic & Medicinal Chemistry, 15(12), 3997-4008 (2007)
Synthesis and characterization of ionic liquids incorporating the nitrile functionality.
Zhao D, et al.
Inorganic Chemistry, 43(6), 2197-2205 (2004)
The photoredox-catalyzed Meerwein addition reaction: intermolecular amino-arylation of alkenes.
Prasad Hari D, et al.
Angewandte Chemie (International Edition in English), 53(3), 725-728 (2014)
Total synthesis of (-)-apicularen A.
Su Q and Panek JS
Journal of the American Chemical Society, 126(8), 2425-2430 (2004)
S Jacob et al.
Toxicology and industrial health, 14(4), 533-546 (1998-07-17)
Chloroacetonitrile (CAN), a drinking water disinfectant by-product, has mutagenic and carcinogenic properties. CAN is known to deplete glutathione (GSH), and previous studies reported an enhanced molecular interaction of CAN after GSH depletion in the uterine and fetal tissues of mice.
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