Cas no 773108-64-8 (4-Amino-2,5-Difluorobenzoic Acid)

4-Amino-2,5-difluorobenzoic acid is a fluorinated benzoic acid derivative with the molecular formula C7H5F2NO2. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring fluorinated aromatic scaffolds. The presence of both amino and carboxyl functional groups allows for further derivatization, enabling its use in coupling reactions or as a building block for heterocyclic systems. Its difluorinated structure enhances metabolic stability and bioavailability in target molecules. The compound is typically supplied as a high-purity solid, ensuring consistent performance in synthetic applications. Proper handling requires standard laboratory precautions due to its potential reactivity.
4-Amino-2,5-Difluorobenzoic Acid structure
773108-64-8 structure
Product Name:4-Amino-2,5-Difluorobenzoic Acid
CAS No:773108-64-8
MF:C7H5F2NO2
MW:173.116908788681
MDL:MFCD06208208
CID:551962
PubChem ID:20151477
Update Time:2025-05-28

4-Amino-2,5-Difluorobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-2,5-Difluorobenzoic Acid
    • Benzoic acid,4-amino-2,5-difluoro-
    • 2,5-difluoro-4-aminobenzoic acid
    • TS-02365
    • DTXSID70603007
    • CS-0105580
    • AMY16090
    • MFCD06208208
    • 4-amino-2,5-difluoro-benzoic acid
    • 773108-64-8
    • AC-28704
    • SY035100
    • SCHEMBL99199
    • CL8910
    • AKOS006293764
    • EN300-224466
    • YOXMTBAQSNCVJQ-UHFFFAOYSA-N
    • FT-0654187
    • A9784
    • Z1198167170
    • 4-Amino-2,5-difluorobenzoicacid
    • DB-075283
    • MDL: MFCD06208208
    • Inchi: 1S/C7H5F2NO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
    • InChI Key: YOXMTBAQSNCVJQ-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=CC=1C(=O)O)F)N

Computed Properties

  • Exact Mass: 173.02900
  • Monoisotopic Mass: 173.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 63.3A^2
  • XLogP3: 1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.536
  • Melting Point: No data available
  • Boiling Point: 316℃ at 760 mmHg
  • Flash Point: 145℃
  • Refractive Index: 1.578
  • PSA: 63.32000
  • LogP: 1.82640
  • Vapor Pressure: No data available

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4-Amino-2,5-Difluorobenzoic Acid Production Method

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