(2Z)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
Basic information
- CAS
3533-10-6- Standard SMILES
N#C/C(=C/c1ccccc1Cl)C(N)=O- InChIKey
IZHILGRDFLIYQW-YVMONPNESA-N- Molecular formula
- C10H7ClN2O
- Average molar mass
- 206.63 g/mol
- Monoisotopic mass
- 206.0246905
Overview
See also: 2-Chloro-alpha-cyanocinnamamide (annotation moved to).
Names & identifiers
- Preferred name
- (2Z)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
- IUPAC
- (Z)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
- English name
- (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
- Molecular formula
- C10H7ClN2O
- Molecular weight
- 206.63
Names & synonyms
3533-10-6NSC134661(2Z)-3-(2-chlorophenyl)-2-cyanoprop-2-enamideAKOS000567043NSC-134661NCGC00665963-01ST50052375SR-01000320699SR-01000320699-12-CHLORO-ALPHA-CYANOCINNAMAMIDE3-(2-Chlorophenyl)-2-cyano-2-propenamide(2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
Database identifiers
- CAS
3533-10-6- PubChem CID
- 722384
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 166 · 166-167 °C(Solvent: Ethanol)
- Boiling point
- 442.646 · 442.646±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.06 · 13.060±0.50(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H301-H319
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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