2,3-Diphenylprop-2-enenitrile
Basic information
- CAS
2510-95-4- Standard SMILES
N#CC(=Cc1ccccc1)c1ccccc1- InChIKey
VFOKYTYWXOYPOX-UHFFFAOYSA-N- Molecular formula
- C15H11N
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.08914936
Overview
See also: Benzeneacetonitrile, alpha-(phenylmethylene)- (annotation moved to).
Names & identifiers
- Preferred name
- 2,3-Diphenylprop-2-enenitrile
- IUPAC
- 2,3-diphenylprop-2-enenitrile
- English name
- 2,3-Diphenylacrylonitrile
- Molecular formula
- C15H11N
- Molecular weight
- 205.26
Names & synonyms
2,3-diphenylprop-2-enenitrile2510-95-4phenylcinnamonitrileSCHEMBL247444SCHEMBL8820541VFOKYTYWXOYPOX-UHFFFAOYSA-N1-CYANO-1,2-DIPHENYL ETHYLENEf2387F 2387USAF a-9789alpha-CyanostilbeneBenzal-(benzyl-cyanid)
Show more names
Stilbene, alpha-cyano-A-PHENYLCINNAMONITRILE2,3-Diphenylacryonitril2,3-diphenyl-acrylonitril2,3-Diphenylacrilonitrile
Database identifiers
- CAS
2510-95-4- PubChem CID
- 95328
- DTXSID
DTXSID0062478
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 85 · 85-87 °C (lit.)
- Boiling point
- 333.93 °C · 333.93°C (rough estimate)
- Density
- 1.1155 · 1.1155 (rough estimate)
- refractive index
- 1.655 · 1.6550 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11+
- InChIKey
- VFOKYTYWXOYPOX-RVDMUPIBSA-N
- SMILES
- N#C\C(=C/c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 2510 · 2510-95-4(CAS DataBase Reference)
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AT6225000
- ridadr
- 3439
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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