Basic information
- CAS
3333-14-0- Standard SMILES
N#CC(Cc1ccccc1)c1ccccc1- InChIKey
DRONDEZXOJEUGU-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 2,3-Diphenylpropiononitrile
- IUPAC
- 2,3-diphenylpropanenitrile
- English name
- 2,3-diphenylpropiononitrile
- Molecular formula
- C15H13N
- Molecular weight
- 207.28
Names & synonyms
2,3-DiphenylpropiononitrileRefChem:442586222-064-02,3-Diphenylpropanenitrile3333-14-0Benzylphenylacetonitrile2,3-DIPHENYLPROPIONITRILEMFCD00051018NSC-71NSC-11192NSC 71EINECS 222-064-0
Show more names
α,β-DiphenylpropiononitrileBenzenepropanenitrile, α-phenyl-
NSC 11192Propionitrile, 3,3-diphenyl-Benzenpropanenitrile, alpha-phenyl-Maybridge3_0054032,3-diphenyl-propionitrile77DSG9UA8KNSC71SCHEMBL56063
Database identifiers
- CAS
3333-14-0- PubChem CID
- 95296
- DTXSID
DTXSID901307290- UNII
- 77DSG9UA8K
- EC Number
- 222-064-0
- Nikkaji
- J205.419A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 204 · 204-206 °C(Press: 13 Torr)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
安徽合诺生物科技有限公司18455579438
箴德化工科技（上海）有限公司15601952568 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
5 records
Compound notes
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