2-Chloropropionitrile
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
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed97.6% of notifiers
- H311 Toxic in contact with skin97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled97.6% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1617-17-0SMILES
CC(Cl)C#NInChIKey
JNAYPRPPXRWGQO-UHFFFAOYSA-NInChI
InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3Weigh 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
Isobutyronitrile78-82-042 % similar
Lactonitrile78-97-736 % similar
2,3-Dichloropropiononitrile2601-89-033 % similar
Ethyl 2-cyanopropanoate1572-99-232 % similar
3-Oxocyclobutane-1-carbonitrile20249-16-532 % similar
tert-Butylmalononitrile4210-60-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.