alpha-(Diphenylmethylene)benzeneacetonitrile

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Basic information

CAS: 6304-33-2
Standard SMILES: N#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIKey: OPACMJHTQWVSKW-UHFFFAOYSA-N
Molecular formula: C21H15N
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.12044948

Overview

2,3,3-Triphenylacrylonitrile is a stilbenoid.

Names & identifiers

Preferred name: alpha-(Diphenylmethylene)benzeneacetonitrile
IUPAC: 2,3,3-triphenylprop-2-enenitrile
English name: Triphenylacrylonitrile
Molecular formula: C21H15N
Molecular weight: 281.35

Names & synonyms

Triphenylacrylonitrile2,3,3-Triphenylacrylonitrile6304-33-2TriphenylcyanoethyleneAcrylonitrile, triphenyl-NSC-4290033Q5RZG6CPalpha-(Diphenylmethylene)benzeneacetonitrileDTXSID60212329RefChem:915469DTXCID10134820228-610-4

Show more names

Cyanotriphenylethylenetriphenyl-acrylonitrilTriphenylacrylonitrile,98+%2,3,3-triphenyl-acrylonitril

2,3,3-triphenylprop-2-enenitrilealpha,beta-Diphenylcinnamonitrile2,3,3-Trifenylakrylonitril7136-23-4ACRYLONITRILE, 2,3,3-TRIPHENYL-MLS002608486Benzeneacetonitrile, alpha-(diphenylmethylene)-2,3,3-triphenyl-2-propenenitrile

Database identifiers

CAS: 6304-33-2
PubChem CID: 22743
DTXSID: DTXSID60212329
ChEMBL: CHEMBL305168
ChEBI: CHEBI:34217
UNII: 33Q5RZG6CP
EC Number: 228-610-4
Nikkaji: J33.777C

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 400

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 165 · 165-167°C
Boiling point: 414.02 °C · 414.02°C (rough estimate)
Density: 1.0232 · 1.0232 (rough estimate)
refractive index: 1.824 · 1.8240 (estimate)
BRN: 1980289 · 1980289
Comptox DTXSID: 60212329 · DTXSID60212329
Symbol(GHS): 6 · GHS06
Hazard statements: 302 · H302-H312-H315-H319-H331-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/22-36/37/38
Safety Statements: 22 · 22-36/37/39
RIDADR: 3276 · 3276

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

rtecs: AT7100000
ridadr: 3276
hs_code: 2926909090
risk_code: 20/22-36/37/38
Symbol(GHS): GHS06
safety_code: 22-36/37/39
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H315-H319-H331-H335
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Additional notes

DefinitionChEBI: 2,3,3-Triphenylacrylonitrile is a stilbenoid.

Related reactions

1 records

New reaction record

HRID 2416402As reactantuspto-grants-2004_11

Compound notes

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