3,3-Diphenylacrylonitrile

HCID 274352

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Basic information

CAS: 3531-24-6
Standard SMILES: N#CC=C(c1ccccc1)c1ccccc1
InChIKey: RDGWQFSLTSPRBG-UHFFFAOYSA-N
Molecular formula: C15H11N
Average molar mass: 205.25 g/mol
Monoisotopic mass: 205.08914936

Names & identifiers

Preferred name: 3,3-Diphenylacrylonitrile
IUPAC: 3,3-diphenylprop-2-enenitrile
English name: B-PHENYLCINNAMONITRILE
Molecular formula: C15H11N
Molecular weight: 205.25

Names & synonyms

3,3-Diphenylacrylonitrile3531-24-63-PhenylcinnamonitrileAcrylonitrile, 3,3-diphenyl-.beta.,.beta.-DiphenylacrylonitrileDTXSID40298040beta,beta-DiphenylacrylonitrileRefChem:90829DTXCID80249177RDGWQFSLTSPRBG-UHFFFAOYSA-NB-PHENYLCINNAMONITRILE3,3-diphenylprop-2-enenitrile

Show more names

β-Diphenylacrylonitrile3 3-DIPHENYLACRYLONITRILE3,3-DiphenylpropenenitrileBenzhydrylideneacetonitrile3,3-Diphenyl-2-propenenitrile3,3-di(phenyl)prop-2-enenitrile

2-Propenenitrile, 3,3-diphenyl-beta-PhenylcinnamonitrileMFCD00045630beta-DiphenylacrylonitrileNSC1203783,3-(Diphenyl)acrylonitrile2-Propenenitrile,3-diphenyl-SCHEMBL247446

Database identifiers

CAS: 3531-24-6
PubChem CID: 274352
DTXSID: DTXSID40298040
EC Number: 620-626-3
Nikkaji: J56.245I

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 262

Physicochemical properties

Melting point: 43 to · 43.0 to 47.0 °C
Boiling point: 131 °C/0.2mmHg · 131°C/0.2mmHg(lit.)
Density: 1.078 · 1.078±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: Light orange to Yellow to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2926.9 · 2926.90.4801

Safety & regulation

Safety data

hs_code: 2926.90.4801
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Usesβ-Diphenylacrylonitrile is a reagent in the preparation of N-diarylpropenyl and N-diarylpropyl amides as ligands for the human melatonin receptors MT1 and MT2.