Cas no 104901-79-3 (Methyl 2-amino-4-chloro-5-fluorobenzoate)

Methyl 2-amino-4-chloro-5-fluorobenzoate is a fluorinated benzoate ester derivative with a molecular formula of C?H?ClFNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its key structural features—an amino group at the 2-position, chloro and fluoro substituents at the 4- and 5-positions, and a methyl ester moiety—enhance reactivity and selectivity in coupling and functionalization reactions. The presence of halogen and amino groups allows for further derivatization, making it valuable for constructing complex heterocycles or active pharmaceutical ingredients (APIs). The compound exhibits high purity and stability under standard storage conditions, ensuring consistent performance in synthetic applications.
Methyl 2-amino-4-chloro-5-fluorobenzoate structure
104901-79-3 structure
Product Name:Methyl 2-amino-4-chloro-5-fluorobenzoate
CAS No:104901-79-3
MF:C8H7ClFNO2
MW:203.598084688187
MDL:MFCD15523631
CID:1033276
PubChem ID:13694375
Update Time:2025-06-07

Methyl 2-amino-4-chloro-5-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-amino-4-chloro-5-fluorobenzoate
    • BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-,METHYL ESTER
    • AGN-PC-00NM3H
    • AK119601
    • CL9064
    • KB-255560
    • MolPort-022-381-717
    • QC-5494
    • Methyl 4-chloro-5-fluoroanthranilate
    • 2-Amino-4-chloro-5-fluoro-benzoic acid methyl ester
    • 1088AA
    • FCH1390838
    • NE64272
    • AX8245017
    • AB0087593
    • BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-,METHYL EST
    • A929714
    • AKOS016010716
    • Methyl4-chloro-5-fluoroanthranilate
    • 104901-79-3
    • SCHEMBL19554228
    • DTXSID80546895
    • AS-46193
    • DB-260703
    • SY069898
    • SB30376
    • MFCD15523631
    • CS-0031061
    • MDL: MFCD15523631
    • Inchi: 1S/C8H7ClFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
    • InChI Key: GLUDXCLLUWRJRA-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(C(=O)OC)=C(C=1)N)F

Computed Properties

  • Exact Mass: 203.0149343g/mol
  • Monoisotopic Mass: 203.0149343g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 3.4
  • Topological Polar Surface Area: 52.3

Methyl 2-amino-4-chloro-5-fluorobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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