Basic information
- CAS
460748-08-7- Standard SMILES
Cc1cc(-c2ccc(C#N)cc2)ccc1O- InChIKey
NENYHEMJBYIEIC-UHFFFAOYSA-N- Molecular formula
- C14H11NO
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.08406397
Names & identifiers
- Preferred name
- 4'-Hydroxy-3'-methyl-[1,1'-biphenyl]-4-carbonitrile
- IUPAC
- 4-(4-hydroxy-3-methylphenyl)benzonitrile
- English name
- 4-(4-Cyanophenyl)-2-Methylphenol
- Molecular formula
- C14H11NO
- Molecular weight
- 209.24
Names & synonyms
460748-08-74'-Hydroxy-3'-methyl-[1,1'-biphenyl]-4-carbonitrile4-(4-CYANOPHENYL)-2-METHYLPHENOL4-(4-hydroxy-3-methylphenyl)benzonitrileMFCD176775864'-hydroxy-3'-methyl-1,1'-biphenyl-4-carbonitrileSCHEMBL2786046DTXSID10624190NENYHEMJBYIEIC-UHFFFAOYSA-NBS-287624-(4-hydroxy-3-methyl-phenyl)benzonitrileCS-0209089
Show more names
4'-Hydroxy-3'-methyl[1,1'-biphenyl]-4-carbonitrile
Database identifiers
- CAS
460748-08-7- PubChem CID
- 22274497
- DTXSID
DTXSID10624190
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 375.6 · 375.6±30.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.82 · 9.82±0.31(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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
5 records
Compound notes
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