C19651

Sigma-Aldrich

Chloroacetonitrile

99%

Linear Formula:
ClCH2CN
CAS Number:
Molecular Weight:
75.50
Beilstein/REAXYS Number:
506028
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

vapor density

3 (vs air)

vapor pressure

1.78 psi ( 20 °C)

assay

99%

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.

Packaging

5, 100, 500 g in glass bottle

Signal Word

Danger

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

T,N

Risk Statement

23/24/25-51/53

Safety Statement

45-61

RIDADR

UN 2668 3(6.1) / PGII

WGK Germany

WGK 3

Flash Point(F)

129.2 °F - closed cup

Flash Point(C)

54 °C - closed cup

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)
Thiocarbonylthio end group removal from RAFT-synthesized polymers by radical-induced reduction.
Chong YK, et al.
Macromolecules, 40(13), 4446-4455 (2007)
Synthesis and characterization of ionic liquids incorporating the nitrile functionality.
Zhao D, et al.
Inorganic Chemistry, 43(6), 2197-2205 (2004)
Ahmed E Ahmed et al.
Neurotoxicology, 26(4), 633-640 (2005-08-23)
Developmental exposure to environmental chemicals may have detrimental effects on embryonic brains that could play a major role in the etio-pathology of fetal and adult neurological diseases. The exact mechanism by which prenatal exposures to environmental agents, such as drinking...
Total synthesis of (-)-apicularen A.
Su Q and Panek JS
Journal of the American Chemical Society, 126(8), 2425-2430 (2004)

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