Cas no 1015433-96-1 (Methyl 4,5-difluoro-2-nitrobenzoate)

Methyl 4,5-difluoro-2-nitrobenzoate is a fluorinated aromatic ester with a nitro functional group, commonly utilized as an intermediate in pharmaceutical and agrochemical synthesis. Its key advantages include the presence of fluorine atoms, which enhance metabolic stability and bioavailability in active compounds, and the nitro group, which serves as a versatile handle for further chemical modifications. The methyl ester moiety provides additional reactivity for hydrolysis or transesterification. This compound is particularly valuable in the development of fluorinated bioactive molecules, where precise substitution patterns are critical for optimizing potency and selectivity. High purity and consistent quality make it suitable for research and industrial applications.
Methyl 4,5-difluoro-2-nitrobenzoate structure
1015433-96-1 structure
Product Name:Methyl 4,5-difluoro-2-nitrobenzoate
CAS No:1015433-96-1
MF:C8H5F2NO4
MW:217.126409292221
MDL:MFCD11042825
CID:839419
Update Time:2025-06-09

Methyl 4,5-difluoro-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • 4,5-DIFLUORO-2-NITROBENZOIC ACID METHYL ESTER
    • METHYL 4,5-DIFLUORO-2-NITROBENZOATE
    • methyl 3,4-difluoro-6-nitro benzoate
    • Methyl-4,5-Difluoro-2-NitroBenzoate
    • KSC914E0T
    • JHWZADUIXGMAKM-UHFFFAOYSA-N
    • WT077
    • Methyl4,5-Difluoro-2-nitrobenzoate
    • methyl 3,4-difluoro-6-nitrobenzoate
    • CK1190
    • TRA0071763
    • CM12686
    • AS01248
    • SY024507
    • ST240722
    • Methyl 4,5-difluoro-2-nitrobenzoate
    • MDL： MFCD11042825
    • Inchi： 1S/C8H5F2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
    • InChI Key： JHWZADUIXGMAKM-UHFFFAOYSA-N
    • SMILES： FC1C(=CC(=C(C(=O)OC)C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 217.01900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 268
  • XLogP3: 1.9
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Density: 1.471
  • Boiling Point: 288.2℃ at 760 mmHg
  • Flash Point: 128℃
  • PSA: 72.12000
  • LogP: 2.18280

Methyl 4,5-difluoro-2-nitrobenzoate 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%

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Methyl 4,5-difluoro-2-nitrobenzoate Production Method

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