Cas no 108620-55-9 (Ethyl 4-(3-nitrophenyl)benzoate)

Ethyl 4-(3-nitrophenyl)benzoate is a synthetic organic compound characterized by the presence of an ester functional group linked to a nitrophenyl-substituted benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro group enhances reactivity, facilitating further functionalization through reduction or substitution reactions. The ethyl ester moiety offers stability while allowing for hydrolysis under controlled conditions. Its well-defined molecular architecture ensures consistent performance in cross-coupling reactions and other transformations. The compound is typically supplied in high purity, making it suitable for research and industrial applications requiring precise chemical building blocks. Proper handling and storage are recommended due to its sensitivity to light and moisture.
Ethyl 4-(3-nitrophenyl)benzoate structure
108620-55-9 structure
Product Name:Ethyl 4-(3-nitrophenyl)benzoate
CAS No:108620-55-9
MF:C15H13NO4
MW:271.268024206162
MDL:MFCD21332969
CID:1039280
PubChem ID:15320193
Update Time:2025-06-09

Ethyl 4-(3-nitrophenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate
    • ethyl 4-(3-nitrophenyl)benzoate
    • ethyl 3'-nitro-4-biphenylcarboxylate
    • A895233
    • CS-0210911
    • DTXSID10571397
    • SCHEMBL5944038
    • MFCD21332969
    • Ethyl 3/'-nitro-[1,1/'-biphenyl]-4-carboxylate
    • Ethyl3'-nitro-[1,1'-biphenyl]-4-carboxylate
    • Ethyl 3'-nitro[1,1'-biphenyl]-4-carboxylate
    • 108620-55-9
    • BS-26205
    • WCZWAMAIMGEQNT-UHFFFAOYSA-N
    • Ethyl 4-(3-nitrophenyl)benzoate
    • MDL: MFCD21332969
    • Inchi: 1S/C15H13NO4/c1-2-20-15(17)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(18)19/h3-10H,2H2,1H3
    • InChI Key: WCZWAMAIMGEQNT-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)C1C=CC=C(C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 271.08400
  • Monoisotopic Mass: 271.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 344
  • 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: 4.1
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 72.12000
  • LogP: 3.96170

Ethyl 4-(3-nitrophenyl)benzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Ethyl 4-(3-nitrophenyl)benzoate Pricemore >>

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abcr
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Ethyl 4-(3-nitrophenyl)benzoate; 98%
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