Basic information
- CAS
42172-48-5- Standard SMILES
N#C/C(=C\c1ccccc1Cl)c1ccccc1- InChIKey
GXNYLJUZCHBIMY-GXDHUFHOSA-N- Molecular formula
- C15H10ClN
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.050177
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-2-phenylacrylonitrile
- IUPAC
- (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile
- English name
- 3-(2-Chloro-phenyl)-2-phenyl-acrylonitrile
- Molecular formula
- C15H10ClN
- Molecular weight
- 239.7
Names & synonyms
3-(2-Chlorophenyl)-2-phenylacrylonitrile7599-04-4NSC405893(2z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrileNSC 405893NSC-405893PST84QLF7J(Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrileAKOS001607366(Z)-3-(2-chlorophenyl)-2-phenylacrylonitrile(2Z)-3-(2-chlorophenyl)-2-phenylacrylonitrileSR-01000408306
Show more names
3-(2-Chloro-phenyl)-2-phenyl-acrylonitrileBenzeneacetonitrile, α-[(2-chlorophenyl)methylene]-, (αZ)-
alpha-[(2-Chlorophenyl)methylene]benzeneacetonitrileSR-01000408306-1(Z)-3-(2-chlorophenyl)-2-phenyl-prop-2-enenitrileBenzeneacetonitrile, alpha-[(2-chlorophenyl)methylene]-(alphaZ)-alpha-[(2-Chlorophenyl)methylene]benzeneacetonitrileBenzeneacetonitrile, alpha-[(2-chlorophenyl)methylene]-, (alphaZ)-42172-48-5
Database identifiers
- CAS
42172-48-5、7599-04-4- PubChem CID
- 716680
- UNII
- PST84QLF7J
- Nikkaji
- J2.545.100G、J800.647D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 102 · 102-104 °C
- Boiling point
- 366.247 · 366.247±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 84 QLF7J · PST84QLF7J
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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