Cas no 131379-35-6 (Ethyl 2'-cyanobiphenyl-3-carboxylate)

Ethyl 2'-cyanobiphenyl-3-carboxylate structure
131379-35-6 structure
Product Name:Ethyl 2'-cyanobiphenyl-3-carboxylate
CAS No:131379-35-6
MF:C16H13NO2
MW:251.279924154282
MDL:MFCD01319589
CID:1232538
PubChem ID:21838949
Update Time:2025-04-20

Ethyl 2'-cyanobiphenyl-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 3-(2-cyanophenyl)benzoate
    • ethyl-2'-cyanobiphenyl-3-carboxylate
    • KB-201325
    • AG-D-63654
    • CTK4B7240
    • ETHYL 2'-CYANOBIPHENYL-3-CARBOXYLATE
    • SureCN8466650
    • AKOS016017284
    • 131379-35-6
    • Ethyl 2/'-cyanobiphenyl-3-carboxylate
    • SCHEMBL8466650
    • ETHYL2'-CYANOBIPHENYL-3-CARBOXYLATE
    • ETHYL 2'-CYANO-[1,1'-BIPHENYL]-3-CARBOXYLATE
    • [1,1'-Biphenyl]-3-carboxylic acid, 2'-cyano-, ethyl ester
    • MFCD01319589
    • Ethyl 2'-cyano[1,1'-biphenyl]-3-carboxylate
    • DTXSID00618689
    • Ethyl 2'-cyanobiphenyl-3-carboxylate
    • MDL: MFCD01319589
    • Inchi: 1S/C16H13NO2/c1-2-19-16(18)13-8-5-7-12(10-13)15-9-4-3-6-14(15)11-17/h3-10H,2H2,1H3
    • InChI Key: NRXNJYFEBJWFCD-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC=CC(=C1)C1C=CC=CC=1C#N)=O

Computed Properties

  • Exact Mass: 251.09500
  • Monoisotopic Mass: 251.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 357
  • 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: 3.5
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 437°C at 760 mmHg
  • Flash Point: 216°C
  • Refractive Index: 1.592
  • PSA: 50.09000
  • LogP: 3.40198
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Ethyl 2'-cyanobiphenyl-3-carboxylate Security Information

Ethyl 2'-cyanobiphenyl-3-carboxylate 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%

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