Cas no 60695-02-5 (4'-Cyano-3-phenylpropiophenone)

4'-Cyano-3-phenylpropiophenone structure
60695-02-5 structure
Product Name:4'-Cyano-3-phenylpropiophenone
CAS No:60695-02-5
MF:C16H13NO
MW:235.280524015427
CID:496159
PubChem ID:12289441
Update Time:2025-09-22

4'-Cyano-3-phenylpropiophenone Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-(1-oxo-3-phenylpropyl)-
    • 4-(3-phenylpropanoyl)benzonitrile
    • 4'-Cyano-3-phenylpropiophenone
    • 1-(4-Cyanophenyl)-3-phenylpropanon-(1)
    • Benzonitrile,4-(1-oxo-3-phenylpropyl)
    • MDL: MFCD03842920
    • Inchi: 1S/C16H13NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2
    • InChI Key: YMAGLWWQIMRLOA-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C#N)=CC=1)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 235.10000
  • Monoisotopic Mass: 235.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 423.6°C at 760 mmHg
  • Flash Point: 210°C
  • Refractive Index: 1.594
  • PSA: 40.86000
  • LogP: 3.37378

4'-Cyano-3-phenylpropiophenone Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4'-Cyano-3-phenylpropiophenone Pricemore >>

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