Cas no 400748-29-0 (3'-formyl-[1,1'-biphenyl]-3-carbonitrile)

3'-formyl-[1,1'-biphenyl]-3-carbonitrile structure
400748-29-0 structure
Product Name:3'-formyl-[1,1'-biphenyl]-3-carbonitrile
CAS No:400748-29-0
MF:C14H9NO
MW:207.227363348007
CID:328219
PubChem ID:1392677
Update Time:2025-04-19

3'-formyl-[1,1'-biphenyl]-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-carbonitrile,3'-formyl-
    • 3-(3-formylphenyl)benzonitrile
    • 3'-FORMYL-BIPHENYL-3-CARBONITRILE
    • 3'-formyl-[1,1'-biphenyl]-3-carbonitrile
    • 3'-formyl[1,1'-biphenyl]-3-carbonitrile
    • 3'-formyl-biphenyl-3-carbonitrile, AldrichCPR
    • DTXSID00362630
    • Z732813276
    • USIJZLBTVWMYBG-UHFFFAOYSA-N
    • 400748-29-0
    • AKOS004117516
    • BB 0220533
    • A1-50239
    • CS-0452222
    • EN300-7526885
    • 3'-formylbiphenyl-3-carbonitrile
    • A824898
    • SCHEMBL15821011
    • ALBB-036699
    • MDL: MFCD04117362
    • Inchi: 1S/C14H9NO/c15-9-11-3-1-5-13(7-11)14-6-2-4-12(8-14)10-16/h1-8,10H
    • InChI Key: USIJZLBTVWMYBG-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC(=C1)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 207.06800
  • Monoisotopic Mass: 207.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 290
  • 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: 2.7
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • Melting Point: 105-108°C
  • PSA: 40.86000
  • LogP: 3.03778

3'-formyl-[1,1'-biphenyl]-3-carbonitrile Security Information

  • Hazard Category Code: 36-51
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi

3'-formyl-[1,1'-biphenyl]-3-carbonitrile 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%

3'-formyl-[1,1'-biphenyl]-3-carbonitrile Pricemore >>

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