2-Chloroacrylonitrile
Properties
- Molecular formula
- C3H2ClN
- Molar mass
- 87.51 g/mol
- Exact mass
- 86.9876 Da
- Density
- 1.08 g/mL (at 20 °C)
- Melting point
- −65 °C
- Boiling point
- 88.5 °C
- Flash point
- 6.7 °C
- logP
- 1.26Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H300 Fatal if swallowed89.1% of notifiers
- H301 Toxic if swallowed10.9% of notifiers
- H310 Fatal in contact with skin82.6% of notifiers
- H311 Toxic in contact with skin13% of notifiers
- H314 Causes severe skin burns and eye damage93.5% of notifiers
- H330 Fatal if inhaled93.5% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled84.8% of notifiers
- H350 May cause cancer89.1% of notifiers
- H400 Very toxic to aquatic life89.1% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P342+P316, P361+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
920-37-6SMILES
C=C(Cl)C#NInChIKey
OYUNTGBISCIYPW-UHFFFAOYSA-NInChI
InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Propenenitrile, 2-chloro-
- Acrylonitrile, 2-chloro-
- 2-Chloro-2-propenenitrile
- α-Chloroacrylonitrile
- 1-Chloro-1-cyanoethene
- 1-Chloro-1-cyanoethylene
- 1-Cyano-1-chloroethene
- 1-Cyanovinyl chloride
- 2-Chloropropenenitrile
- NSC 511714
Work with 2-Chloroacrylonitrile
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
Methacrylonitrile126-98-736 % similar
Tetracyanoethylene670-54-233 % similar
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone84-58-231 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.