chempirical

2-Chloropropionitrile

C3H4ClNCAS 1617-17-089.52 g/mol

Open in Covalent MOL file
ClN
Alkyl halideNitrile

Properties

Molecular formula
C3H4ClN
Molar mass
89.52 g/mol
Exact mass
89.0032 Da
Melting point
54–55 °C
Boiling point
121 °C
logP
1.14Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1617-17-0
SMILES
CC(Cl)C#N
InChIKey
JNAYPRPPXRWGQO-UHFFFAOYSA-N
InChI
InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Propanenitrile, 2-chloro-
  • Propionitrile, 2-chloro-
  • α-Chloropropionitrile
  • 2-Chloropropanenitrile
  • (±)-2-Chloropropionitrile

Work with 2-Chloropropionitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dichloroacetonitrile3018-12-042 % similar Lactonitrile78-97-736 % similar 2,3-Dichloropropanenitrile2601-89-033 % similar Ethyl 2-cyanopropanoate1572-99-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloropropionitrile542-76-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook