Cas no 46177-21-3 (2-Benzoylmalononitrile)

2-Benzoylmalononitrile structure
2-Benzoylmalononitrile structure
Product Name:2-Benzoylmalononitrile
CAS No:46177-21-3
MF:C10H6N2O
MW:170.16744184494
MDL:MFCD00050442
CID:335254
PubChem ID:294092
Update Time:2025-04-19

2-Benzoylmalononitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzoylmalononitrile
    • 2-benzoylpropanedinitrile
    • Propanedinitrile,2-benzoyl-
    • 20cyano-3-oxo-3-phenyl propionitrile
    • 2-benzoyl-propanedinitrile
    • AC1L6L7D
    • AC1Q5BYY
    • AC1Q5ERD
    • Benzoyl-malononitril
    • benzoylmalononitrile
    • benzoyl-malononitrile
    • benzoylpropanedinitrile
    • CTK4I9215
    • NSC162041
    • CS-0218007
    • TYILDUOIQJLXMU-UHFFFAOYSA-N
    • AKOS016008102
    • AMY19338
    • DTXSID20303787
    • 46177-21-3
    • NSC-162041
    • SCHEMBL408412
    • EN300-97394
    • Z735494992
    • Propanedinitrile, benzoyl-
    • Malononitrile,benzoyl- (6CI,7CI)
    • MFCD00050442
    • DB-338104
    • MDL： MFCD00050442
    • Inchi： 1S/C10H6N2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9H
    • InChI Key： TYILDUOIQJLXMU-UHFFFAOYSA-N
    • SMILES： O=C(C(C#N)C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 170.04808
  • Monoisotopic Mass: 170.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 269
  • 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
  • Topological Polar Surface Area: 64.6A^2
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.205
  • Boiling Point: 355.2°Cat760mmHg
  • Flash Point: 168.6°C
  • Refractive Index: 1.555
  • PSA: 64.65
  • LogP: 1.53266

2-Benzoylmalononitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Alichem
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Enamine
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Enamine
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