Cas no 144851-84-3 (2-Amino-3-fluorobenzoic Acid Ethyl Ester)

2-Amino-3-fluorobenzoic Acid Ethyl Ester is a fluorinated aromatic ester with significant utility in organic synthesis and pharmaceutical intermediates. Its key structural features include an amino group and a fluorine substituent on the benzoic acid scaffold, enhancing reactivity for selective functionalization. The ethyl ester moiety improves solubility in organic solvents, facilitating downstream reactions. This compound is particularly valuable in the development of fluorinated heterocycles and bioactive molecules, where the fluorine atom can influence metabolic stability and binding affinity. Its well-defined purity and stability make it a reliable building block for research and industrial applications in medicinal chemistry and material science.
2-Amino-3-fluorobenzoic Acid Ethyl Ester structure
144851-84-3 structure
Product Name:2-Amino-3-fluorobenzoic Acid Ethyl Ester
CAS No:144851-84-3
MF:C9H10FNO2
MW:183.179605960846
MDL:MFCD10566815
CID:2098681
PubChem ID:19432019
Update Time:2025-06-08

2-Amino-3-fluorobenzoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-aMino-3-fluorobenzoate
    • 2-Amino-3-fluorobenzoic Acid Ethyl Ester
    • MDL: MFCD10566815
    • Inchi: 1S/C9H10FNO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2,11H2,1H3
    • InChI Key: QMEOQULTCQLTGQ-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C(=O)OCC)=C1N

Computed Properties

  • Exact Mass: 183.06955672g/mol
  • Monoisotopic Mass: 183.06955672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 2.7
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • Density: 1.218±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 263.3±25.0 oC (760 Torr),
  • Flash Point: 113.0±23.2 oC,
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A898200-25mg
2-Amino-3-fluorobenzoic Acid Ethyl Ester
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$ 50.00 2022-06-07
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$ 65.00 2022-06-07
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$ 80.00 2022-06-07
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475.20 USD 2021-06-21
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