Cas no 651734-56-4 (Benzoic acid, 2,6-difluoro-3,5-dimethoxy-)

Benzoic acid, 2,6-difluoro-3,5-dimethoxy-, is a fluorinated and methoxylated derivative of benzoic acid, characterized by its unique substitution pattern. The presence of fluorine and methoxy groups at the 2,6- and 3,5-positions, respectively, enhances its electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its structural features contribute to improved stability and reactivity in cross-coupling reactions, as well as potential utility in agrochemical and medicinal chemistry. The compound’s high purity and well-defined molecular architecture ensure consistent performance in research and industrial processes. Its solubility in common organic solvents further facilitates handling in synthetic workflows.
Benzoic acid, 2,6-difluoro-3,5-dimethoxy- structure
651734-56-4 structure
Product Name:Benzoic acid, 2,6-difluoro-3,5-dimethoxy-
CAS No:651734-56-4
MF:C9H8F2O4
MW:218.154230117798
MDL:MFCD24448610
CID:403802
PubChem ID:18444702
Update Time:2025-10-12

Benzoic acid, 2,6-difluoro-3,5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,6-difluoro-3,5-dimethoxy-
    • 2,6-difluoro-3,5-dimethoxybenzoic acid
    • CS-0047216
    • AKOS027254794
    • 2,6-difluoro-3,5-dimethoxybenzoicacid
    • 651734-56-4
    • 2,6-Difluoro-3,5-dimethoxy Benzoic Acid
    • AS-65142
    • SCHEMBL1819165
    • AHKXIHJVTQDRJR-UHFFFAOYSA-N
    • MFCD24448610
    • 2,6-difluoro-3,5-dimethoxy-benzoic acid
    • BBB73456
    • DTXSID70593833
    • MDL: MFCD24448610
    • Inchi: 1S/C9H8F2O4/c1-14-4-3-5(15-2)8(11)6(7(4)10)9(12)13/h3H,1-2H3,(H,12,13)
    • InChI Key: AHKXIHJVTQDRJR-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(=C(C=1C(=O)O)F)OC)OC

Computed Properties

  • Exact Mass: 218.03904
  • Monoisotopic Mass: 218.03906506g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 220
  • 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: 1.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76

Benzoic acid, 2,6-difluoro-3,5-dimethoxy- Pricemore >>

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abcr
AB452681-250mg
2,6-Difluoro-3,5-dimethoxybenzoic acid; .
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