Cas no 89409-89-2 (Ethyl 4-(4-cyanophenyl)benzoate)

Ethyl 4-(4-cyanophenyl)benzoate structure
89409-89-2 structure
Product Name:Ethyl 4-(4-cyanophenyl)benzoate
CAS No:89409-89-2
MF:C16H13NO2
MW:251.279924154282
MDL:MFCD01319587
CID:828511
PubChem ID:12143161
Update Time:2025-04-19

Ethyl 4-(4-cyanophenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4'-cyano-[1,1'-biphenyl]-4-carboxylate
    • ethyl 4-(4-cyanophenyl)benzoate
    • Ethyl 4'-cyanobiphenyl-4-carboxylate
    • 4-cyano-4'-(carbethoxy)biphenyl
    • 4'-cyanobiphenyl-4-carboxylic acid ethyl ester
    • MFCD01319587
    • Ethyl 4'-cyano[1,1'-biphenyl]-4-carboxylate
    • DTXSID20478469
    • MOBULWWIIMBNQE-UHFFFAOYSA-N
    • ethyl 4-cyanobiphenyl-4'-carboxylate
    • BS-25789
    • SCHEMBL2997892
    • 89409-89-2
    • 4'-Cyanobiphenyl-4-carboxylic ethyl ester
    • AKOS016008439
    • Ethyl4'-cyano-[1,1'-biphenyl]-4-carboxylate
    • Ethyl 4-(4-cyanophenyl)benzoate
    • MDL: MFCD01319587
    • Inchi: 1S/C16H13NO2/c1-2-19-16(18)15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h3-10H,2H2,1H3
    • InChI Key: MOBULWWIIMBNQE-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)C1C=CC(C#N)=CC=1)=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: 341
  • 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±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 123-124.5 oC
  • Solubility: Insuluble (9.5E-3 g/L) (25 oC),
  • PSA: 50.09000
  • LogP: 3.40198

Ethyl 4-(4-cyanophenyl)benzoate 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%

Ethyl 4-(4-cyanophenyl)benzoate Pricemore >>

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abcr
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eNovation Chemicals LLC
Y1248738-100mg
Ethyl 4'-cyano-[1,1'-biphenyl]-4-carboxylate
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Ethyl 4-(4-cyanophenyl)benzoate Production Method

Ethyl 4-(4-cyanophenyl)benzoate Related Literature

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