Basic information
- CAS
871-29-4- Standard SMILES
N#CC=CCl- InChIKey
DKFAYHWIVQDPCC-UHFFFAOYSA-N- Molecular formula
- C3H2ClN
- Average molar mass
- 87.51 g/mol
- Monoisotopic mass
- 86.98757674
Names & identifiers
- Preferred name
- beta-Chloroacrylonitrile
- IUPAC
- 3-chloroprop-2-enenitrile
- English name
- 3-Chloroacrylonitrile
- Molecular formula
- C3H2ClN
- Molecular weight
- 87.51
Names & synonyms
3-Chloroacrylonitrile871-29-4beta-chloroacrylonitrile1-chloro-2-cyanoetheneSCHEMBL25078SCHEMBL7667548SCHEMBL76675513-CHLOROPROP-2-ENENITRILEDKFAYHWIVQDPCC-UHFFFAOYSA-NDTXSID401007336MFCD00278837SY345799
Show more names
2-Propenenitrile, 3-chloro- (9CI)
Database identifiers
- CAS
871-29-4- PubChem CID
- 53439748
- DTXSID
DTXSID401007336
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 76.1
Physicochemical properties
- Boiling point
- 117 · 117-144 °C
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
2 records
Compound notes
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