(4-Methylphenyl)(phenyl)acetonitrile
Basic information
- CAS
6974-49-8- Standard SMILES
Cc1ccc(C(C#N)c2ccccc2)cc1- InChIKey
UQHKVXGCTXUYFU-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- (4-Methylphenyl)(phenyl)acetonitrile
- IUPAC
- 2-(4-methylphenyl)-2-phenylacetonitrile
- English name
- 2-phenyl-2-p-tolylacetonitrile
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
(4-methylphenyl)(phenyl)acetonitrile6974-49-8DTXSID70282013RefChem:1050439DTXCID302331672-Phenyl-2-(p-tolyl)acetonitrile2-(4-methylphenyl)-2-phenylacetonitrileMFCD19302263benzeneacetonitrile, 4-methyl-alpha-phenyl-2-phenyl-2-p-tolylacetonitrileNSC23824SCHEMBL9447402
Show more names
Benzeneacetonitrile, 4-methyl-α-phenyl-
ALBB-026386NSC-23824AKOS015998441LS-089812-(4-Methylphenyl)-2-phenyl-acetonitrileDS-003365CS-0326593G69603
Database identifiers
- CAS
6974-49-8- PubChem CID
- 229824
- DTXSID
DTXSID70282013- Nikkaji
- J3.113.667I
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
- 248
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- 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
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Related reactions
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Compound notes
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