Cas no 379228-57-6 (Methyl 2-amino-4,6-difluorobenzoate)

Methyl 2-amino-4,6-difluorobenzoate structure
379228-57-6 structure
Product Name:Methyl 2-amino-4,6-difluorobenzoate
CAS No:379228-57-6
MF:C8H7F2NO2
MW:187.143489122391
MDL:MFCD12159819
CID:843415
PubChem ID:11974821
Update Time:2025-04-19

Methyl 2-amino-4,6-difluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-amino-4,6-difluorobenzoate
    • Benzoic acid, 2-amino-4,6-difluoro-, methyl ester
    • Benzoic acid, 2-amino-4,6-difluoro-, methyl ester (9CI)
    • SECMISFZCMBTKJ-UHFFFAOYSA-N
    • Methyl2-Amino-4,6-difluorobenzoate
    • AK127740
    • SY037836
    • EN000077
    • ST24047670
    • 2-Amino-4,6-difluoro-benzoic acid methyl ester
    • AKOS010055870
    • 379228-57-6
    • DB-069609
    • EN300-1697585
    • SCHEMBL3274931
    • DS-5594
    • Benzoic acid,2-amino-4,6-difluoro-,methyl ester(9ci)
    • DTXSID70474996
    • MFCD12159819
    • AC-29618
    • Methyl 2-amino-4,6-difluorobenzoate
    • MDL: MFCD12159819
    • Inchi: 1S/C8H7F2NO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,11H2,1H3
    • InChI Key: SECMISFZCMBTKJ-UHFFFAOYSA-N
    • SMILES: FC1=CC(=CC(=C1C(=O)OC)N)F

Computed Properties

  • Exact Mass: 187.04448479g/mol
  • Monoisotopic Mass: 187.04448479g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 52.3
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.355±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 266.1±40.0 oC (760 Torr),
  • Flash Point: 114.7±27.3 oC,
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),

Methyl 2-amino-4,6-difluorobenzoate Security Information

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