3-Chloropropionitrile TCI C0277

Chemical Identity

CAS No.: 542-76-7
PubChem: CID 10963·SID 87565431
Formula: C3H4ClN
Molecular weight: 89.52 g/mol
Purity: >98.0%(GC)
Reference databases: ChemSpider·ECHA·Wikipedia

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 3-chloropropanenitrile
SMILES: C(CCl)C#N
InChIKey: GNHMRTZZNHZDDM-UHFFFAOYSA-N
MDL: MDL00001952

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Volume 25mL 500mL

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TCI C0277 3-Chloropropionitrile (CAS 542-76-7) is an aliphatic nitrile carrying a chlorine atom at the beta position, giving it two complementary reactive sites. It is widely used as a cyanoethylating agent to attach a 2-cyanoethyl group to amines, alcohols, and thiols. The nitrile group can subsequently be hydrolysed to a carboxylic acid or reduced to a primary amine, opening routes to beta-alanine derivatives and nitrogen heterocycles. AMI Scientific supplies this TCI reagent in 25 mL and 500 mL bottles; because the compound is highly toxic, all handling should take place in a fume hood with full personal protective equipment.

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FARHAT et al. (1993). ChemInform Abstract: Sonochemically Induced Reaction Between Water and 3‐ Chloropropionitrile.. ChemInform doi:10.1002/chin.199329082
XU et al. (1993). ChemInform Abstract: Microwave Spectral Study of 3‐Chloropropionitrile and 3‐ Bromopropionitrile.. ChemInform doi:10.1002/chin.199311056
Farhat et al. (1992). Sonochemically Induced Reaction Between Water and 3-Chloropropionitrile. Synthetic Communications doi:10.1080/00397919209409264

References were compiled automatically from Crossref and every DOI was verified to exist. AMI Scientific is not affiliated with the authors or the publishers.