Cas no 736990-88-8 (3,5-Difluoro-4-formylbenzoic acid)

3,5-Difluoro-4-formylbenzoic acid structure
736990-88-8 structure
Product Name:3,5-Difluoro-4-formylbenzoic acid
CAS No:736990-88-8
MF:C8H4F2O3
MW:186.112369537354
MDL:MFCD09835188
CID:1029455
PubChem ID:45073629
Update Time:2025-04-20

3,5-Difluoro-4-formylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Difluoro-4-formylbenzoic acid
    • 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE
    • PubChem4180
    • FRAXEZGWRAVEIK-UHFFFAOYSA-N
    • 3,5-difluoro-4-formyl-benzoic acid
    • AS04491
    • Benzoic acid, 3,5-difluoro-4-formyl-
    • AK135760
    • 3,5-bis(fluoranyl)-4-methanoyl-benzoic acid
    • A837898
    • EN300-657371
    • MFCD09835188
    • SCHEMBL1813635
    • AMY8772
    • 3,5-difluoro-4-formylbenzoicacid
    • AKOS006327503
    • DS-5166
    • SY112244
    • FT-0692005
    • DTXSID50662819
    • 736990-88-8
    • Z1198233472
    • CS-0042772
    • DB-074727
    • XH1133
    • MDL: MFCD09835188
    • Inchi: 1S/C8H4F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
    • InChI Key: FRAXEZGWRAVEIK-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)O)C=C(C=1C=O)F

Computed Properties

  • Exact Mass: 186.01285031g/mol
  • Monoisotopic Mass: 186.01285031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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: 54.4
  • XLogP3: 1.1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 319.9°C at 760 mmHg
  • Flash Point: 147.3±27.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3,5-Difluoro-4-formylbenzoic acid Security Information

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