(2E,4E)-2,5-diphenylpenta-2,4-dienenitrile
Basic information
- CAS
6443-79-4- Standard SMILES
N#C/C(=C/C=C/c1ccccc1)c1ccccc1- InChIKey
MEAXDVRKAWCVJF-DESBJYGPSA-N- Molecular formula
- C17H13N
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.10479942
Names & identifiers
- Preferred name
- (2E,4E)-2,5-diphenylpenta-2,4-dienenitrile
- IUPAC
- (2E,4E)-2,5-diphenylpenta-2,4-dienenitrile
- English name
- Benzeneacetonitrile, a-(3-phenyl-2-propen-1-ylidene)-
- Molecular formula
- C17H13N
- Molecular weight
- 231.29
Names & synonyms
6443-79-4(2E,4E)-2,5-diphenylpenta-2,4-dienenitrileNSC3381192,5-diphenylpenta-2,4-dienenitrile2,5-DIPHENYL-2,4-PENTADIENENITRILEDTXSID80422963AKOS002344789NSC-338119ST51223735G648302,5-Diphenylpent-2,4-dienenitrileBenzeneacetonitrile, α-(3-phenyl-2-propen-1-ylidene)-
Show more names
Benzeneacetonitrile, a-(3-phenyl-2-propen-1-ylidene)-
Database identifiers
- CAS
6443-79-4- PubChem CID
- 6380299
- DTXSID
DTXSID80422963
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 426.005 · 426.005±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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