C19651

Chloroacetonitrile

99%

• Synonym(s): α-Chloroacetonitrile, 2-Chloroacetonitrile, Chloromethyl cyanide, Cyanomethyl chloride, Monochloroacetonitrile
• Linear Formula: ClCH₂CN
• CAS Number: 107-14-2
• Molecular Weight: 75.50
• Beilstein/REAXYS Number: 506028
• EC Number: 203-467-0
• MDL number: MFCD00001885
• UNSPSC Code: 12352100
• PubChem Substance ID: 24892453
• NACRES: NA.22

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS06,GHS09
• signalword: Danger
• hcodes: H226,H301 + H331,H310,H319,H411
• pcodes: P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
• 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_germany: WGK 3
• flash_point_f: 129.2 °F
• flash_point_c: 54 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter