Cas no 197520-71-1 (2,3,4-Trifluoro-5-nitrobenzoic acid)

2,3,4-Trifluoro-5-nitrobenzoic acid is a fluorinated aromatic compound featuring a carboxylic acid and a nitro group at adjacent positions on a benzene ring. Its trifluorinated structure enhances reactivity and stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing effects of the fluorine and nitro groups facilitate nucleophilic substitution reactions, enabling precise functionalization. This compound is particularly useful in the development of active pharmaceutical ingredients (APIs) and specialty chemicals requiring controlled modification of aromatic systems. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic applications. Proper handling is advised due to its potential irritant properties.
2,3,4-Trifluoro-5-nitrobenzoic acid structure
197520-71-1 structure
Product Name:2,3,4-Trifluoro-5-nitrobenzoic acid
CAS No:197520-71-1
MF:C7H2F3NO4
MW:221.090292453766
MDL:MFCD09753762
CID:98150
PubChem ID:15871241
Update Time:2025-05-21

2,3,4-Trifluoro-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,3,4-Trifluoro-5-nitrobenzoic acid
    • 2,3,4-Trifluoro-5-Nitro-Benzoic Acid
    • Benzoicacid, 2,3,4-trifluoro-5-nitro-
    • 2,3,4,5,6-PENTAFLUOROBENZYL PROPIONATE
    • 5-Nitro-2,3,4-trifluorobenzoic Acid
    • PC8688
    • Benzoic acid, 2,3,4-trifluoro-5-nitro-
    • BCMIOBTWFPSPJJ-UHFFFAOYSA-N
    • SBB096084
    • VZ22102
    • CM12857
    • AM61390
    • 2,3,4-Trifluoro-5-nitro benzoic acid
    • BC221920
    • SY005294
    • RUBIDIUMHEXAFLUOROARSENATE
    • SCHEMBL1039209
    • DTXSID00579029
    • CS-M0255
    • 197520-71-1
    • MFCD09753762
    • 5-Nitro-2 pound not3 pound not4-trifluorobenzoic Acid
    • LB-0607
    • 2,3,4-TRIFLUORO-5-NITROBENZOICACID
    • FT-0701481
    • EN300-384065
    • AKOS015893055
    • A20438
    • 2,3,4-trifluoro-5-nitrobenzoic acid;
    • DB-013953
    • DTXCID50529796
    • 800-139-4
    • MDL: MFCD09753762
    • Inchi: 1S/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
    • InChI Key: BCMIOBTWFPSPJJ-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])F)F

Computed Properties

  • Exact Mass: 220.99400
  • Monoisotopic Mass: 220.99359203g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 282
  • 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
  • Topological Polar Surface Area: 83.1
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.748
  • Boiling Point: 349.7°C at 760 mmHg
  • Flash Point: 165.279℃
  • Refractive Index: 1.541
  • PSA: 83.12000
  • LogP: 2.23350

2,3,4-Trifluoro-5-nitrobenzoic acid Security Information

2,3,4-Trifluoro-5-nitrobenzoic acid 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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2,3,4-Trifluoro-5-nitrobenzoic acid Production Method

Additional information on 2,3,4-Trifluoro-5-nitrobenzoic acid

2,3,4-Trifluoro-5-nitrobenzoic acid (CAS No. 197520-71-1)

The compound 2,3,4-Trifluoro-5-nitrobenzoic acid, with the CAS registry number 197520-71-1, is a highly fluorinated aromatic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by the presence of three fluorine atoms and a nitro group attached to a benzoic acid backbone. The unique combination of these substituents imparts distinctive electronic and structural properties to the molecule, making it a valuable component in various chemical applications.

Recent studies have highlighted the importance of fluorinated benzoic acids in the development of advanced materials. The introduction of fluorine atoms into aromatic systems is known to enhance stability, improve thermal resistance, and modulate electronic properties. In the case of 2,3,4-Trifluoro-5-nitrobenzoic acid, the trifluoromethyl substitution pattern significantly influences the molecule's reactivity and solubility. Researchers have demonstrated that this compound exhibits exceptional stability under harsh chemical conditions, making it a promising candidate for use in high-performance polymers and coatings.

The nitro group attached at the 5-position of the benzoic acid ring further enhances the compound's versatility. Nitro groups are known for their strong electron-withdrawing effects, which can influence the acidity of the carboxylic acid group. This dual functionality—combining the electron-withdrawing effects of both fluorine atoms and the nitro group—makes 2,3,4-Trifluoro-5-nitrobenzoic acid an ideal building block for synthesizing bioactive molecules and pharmaceutical intermediates.

In terms of synthesis, several methods have been reported for preparing 2,3,4-Trifluoro-5-nitrobenzoic acid. Traditional approaches involve multi-step reactions starting from fluorobenzene derivatives or through electrophilic substitution routes. However, recent advancements have focused on developing more efficient and environmentally friendly synthetic pathways. For instance, researchers have explored the use of microwave-assisted synthesis to streamline the production process while maintaining high yields and purity levels.

The application potential of 2,3,4-Trifluoro-5-nitrobenzoic acid extends beyond materials science into areas such as drug discovery and agrochemicals. Its unique electronic properties make it a valuable precursor for synthesizing bioactive compounds with potential anti-cancer or anti-microbial activities. Additionally, this compound has shown promise in catalytic applications due to its ability to stabilize transition metal catalysts under challenging reaction conditions.

In conclusion, 2,3,4-Trifluoro-5-nitrobenzoic acid (CAS No. 197520-71-1) stands out as a versatile and functionalized aromatic compound with diverse applications across multiple disciplines. Its unique combination of fluorine atoms and a nitro group provides a platform for innovative chemical developments. As research continues to uncover new synthetic methods and applications for this compound, its role in advancing modern chemistry is expected to grow significantly.

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