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C19651

Sigma-Aldrich

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
Beilstein:
506028
EC Number:
203-467-0
MDL number:
MFCD00001885
UNSPSC Code:
12352100
PubChem Substance ID:
24892453
NACRES:
NA.22

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.)

SMILES string

ClCC#N

InChI

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

InChI key

RENMDAKOXSCIGH-UHFFFAOYSA-N

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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.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

129.2 °F

Flash Point(C)

54 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
A E Ahmed et al.
Toxicology, 67(3), 279-302 (1991-05-01)
Chloroacetonitrile (CAN), a drinking water disinfectant by-product, possesses mutagenic and carcinogenic properties. The objective of this study was to investigate the biologic fate of CAN, using whole body autoradiographic (WBA) techniques. Male Sprague-Dawley rats were treated with a tracer dose
Yukako Komaki et al.
Journal of environmental sciences (China), 58, 231-238 (2017-08-05)
Disinfection by-products occur widely as the unintended effect of water disinfection and are associated with toxicity and adverse human health effects. Yet the molecular mechanisms of their toxicity are not well understood. To investigate the molecular basis of hyperploidy induction
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