4-Acetylphenylacetonitrile
Basic information
- CAS
10266-42-9- Standard SMILES
CC(=O)c1ccc(CC#N)cc1- InChIKey
OGRJRTLLXHAMOD-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 4-Acetylphenylacetonitrile
- IUPAC
- 2-(4-acetylphenyl)acetonitrile
- English name
- 4-acetylphenylacetonitrile
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
2-(4-acetylphenyl)acetonitrile10266-42-94-AcetylphenylacetonitrileBenzeneacetonitrile, 4-acetyl-4-AcetylbenzeneacetonitrileMFCD17170005(4-acetylphenyl)acetonitrileEINECS 233-607-6p-Acetyl-benzylcyanidp-acetylphenyl acetonitrileSCHEMBL9142779DTXSID60145441
Show more names
Benzeneacetonitrile, 4-acetyl- (9CI)
AKOS015891026SY411781DB-205548NS00023167G89910F556178
Database identifiers
- CAS
10266-42-9- PubChem CID
- 82505
- DTXSID
DTXSID60145441- EC Number
- 233-607-6
- Nikkaji
- J227.145A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 84 °C · 84 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 318.5 · 318.5±25.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P332+P313-P337+P313-P362+P364
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
- H315-H319
- Precautionary statements
- P264-P280-P332+P313-P337+P313-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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