Cas no 1124214-25-0 (4-Amino-2-chloro-3-fluorobenzoic acid)

4-Amino-2-chloro-3-fluorobenzoic acid is a fluorinated benzoic acid derivative with a molecular formula of C?H?ClFNO?. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring halogenated aromatic frameworks. The presence of amino, chloro, and fluoro substituents enhances its reactivity, enabling selective functionalization for targeted applications. Its high purity and stability make it suitable for precision chemical reactions, including coupling and derivatization processes. The compound is commonly utilized in research and industrial settings for its ability to introduce both halogen and carboxyl functionalities into complex molecular structures. Proper handling and storage are recommended to maintain its integrity.
4-Amino-2-chloro-3-fluorobenzoic acid structure
1124214-25-0 structure
Product Name:4-Amino-2-chloro-3-fluorobenzoic acid
CAS No:1124214-25-0
MF:C7H5ClFNO2
MW:189.571504354477
MDL:MFCD20646129
CID:3025737
PubChem ID:66878814
Update Time:2025-06-06

4-Amino-2-chloro-3-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-2-chloro-3-fluorobenzoic acid
    • NHDBDTBRXKRBQV-UHFFFAOYSA-N
    • AS-63018
    • SCHEMBL1020878
    • 1124214-25-0
    • 4-amino-2-chloro-3-fluorobenzoicacid
    • MFCD20646129
    • CS-0441223
    • AKOS027323712
    • A10783
    • MDL： MFCD20646129
    • Inchi： 1S/C7H5ClFNO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12)
    • InChI Key： NHDBDTBRXKRBQV-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C=CC=1C(=O)O)N)F

Computed Properties

  • Exact Mass: 188.9992843g/mol
  • Monoisotopic Mass: 188.9992843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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: 63.3
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.574±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.36 g/l) (25 o C),

4-Amino-2-chloro-3-fluorobenzoic acid Pricemore >>

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