Cas no 499-57-0 (Sodium 3-fluorobenzoate)

Sodium 3-fluorobenzoate structure
Sodium 3-fluorobenzoate structure
Product Name:Sodium 3-fluorobenzoate
CAS No:499-57-0
MF:C7H4FNaO2
MW:162.093636512756
CID:328901
PubChem ID:2779345
Update Time:2025-04-19

Sodium 3-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Sodium 3-fluorobenzoate
    • Benzoic acid,3-fluoro-, sodium salt (1:1)
    • Sodium m-fluorobenzoate
    • SODIUM3-FLUOROBENZOATE
    • Benzoic acid, 3-fluoro-, sodium salt (1:1)
    • sodium;3-fluorobenzoate
    • AKOS003051594
    • PS-11783
    • 499-57-0
    • 3-FLUOROBENZOIC ACID SODIUM
    • MFCD03788550
    • AKOS006228800
    • CK1073
    • FT-0632233
    • DTXSID80381400
    • sodium,3-fluorobenzoate
    • GCXUCULHJVOCJG-UHFFFAOYSA-M
    • SCHEMBL25401598
    • DB-051708
    • MDL： MFCD03788550
    • Inchi： 1S/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
    • InChI Key： GCXUCULHJVOCJG-UHFFFAOYSA-M
    • SMILES： [Na+].FC1=CC=CC(C(=O)[O-])=C1

Computed Properties

  • Exact Mass: 162.00932
  • Monoisotopic Mass: 162.00930181g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 140
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.1?2

Experimental Properties

  • Boiling Point: 251.1°C at 760 mmHg
  • PSA: 40.13

Sodium 3-fluorobenzoate Security Information

  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：Sealed in dry,Room Temperature

Sodium 3-fluorobenzoate Pricemore >>

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