Cas no 151504-81-3 (Methyl 4-fluoro-2-nitrobenzoate)

Methyl 4-fluoro-2-nitrobenzoate (CAS: 320-12-7) is a fluorinated aromatic ester with a nitro substituent, widely used as an intermediate in organic synthesis and pharmaceutical research. Its key advantages include high reactivity due to the electron-withdrawing nitro and fluoro groups, facilitating nucleophilic substitution and coupling reactions. The compound exhibits good stability under standard conditions, making it suitable for multi-step synthetic processes. It serves as a versatile building block for constructing complex molecules, particularly in the development of agrochemicals and active pharmaceutical ingredients (APIs). The ester functionality allows for further derivatization, enhancing its utility in fine chemical applications. Purity and consistency are critical for reproducible results in research and industrial settings.
Methyl 4-fluoro-2-nitrobenzoate structure
151504-81-3 structure
Product Name:Methyl 4-fluoro-2-nitrobenzoate
CAS No:151504-81-3
MF:C8H6FNO4
MW:199.135945796967
MDL:MFCD09800921
CID:99522
PubChem ID:14941412
Update Time:2025-10-10

Methyl 4-fluoro-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-fluoro-2-nitrobenzoate
    • 4-fluoro-2-nitroBenzoic acid methyl ester
    • Benzoic acid,4-fluoro-2-nitro-, methyl ester
    • 4-fluoro-2-nitro-benzoic acid methyl ester
    • FD7307
    • PC8106
    • 5-Fluoro-2-(methoxycarbonyl)nitrobenzene
    • Benzoic acid, 4-fluoro-2-nitro-, methyl ester
    • YBAZOLISUXINHV-UHFFFAOYSA-N
    • SBB092415
    • METHYL4-FLUORO-2-NITROBENZOATE
    • TRA0030427
    • SY019797
    • 2-Nitro-4-fluorobenzoic acid methyl ester
    • 4-fluoro-2-nitro benzoic acid methyl ester
    • V3466
    • AMY15384
    • AKOS006344732
    • SCHEMBL539834
    • DTXSID30565793
    • CS-0061808
    • AS-49311
    • 151504-81-3
    • EN300-213028
    • MFCD09800921
    • FT-0724136
    • DA-19010
    • 692-869-3
    • DTXCID90516569
    • MDL: MFCD09800921
    • Inchi: 1S/C8H6FNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
    • InChI Key: YBAZOLISUXINHV-UHFFFAOYSA-N
    • SMILES: FC1C=CC(C(=O)OC)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 199.02800
  • Monoisotopic Mass: 199.02808583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 1.8
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.4±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 272.1℃/760mmHg
  • Flash Point: 118.4±21.8 °C
  • Refractive Index: 1.533
  • PSA: 72.12000
  • LogP: 2.04370
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Methyl 4-fluoro-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%

Methyl 4-fluoro-2-nitrobenzoate Pricemore >>

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Methyl 4-fluoro-2-nitrobenzoate Production Method

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