Cas no 153556-55-9 (4-Chloro-2-fluoro-3-methylbenzoic acid)

4-Chloro-2-fluoro-3-methylbenzoic acid structure
153556-55-9 structure
Product Name:4-Chloro-2-fluoro-3-methylbenzoic acid
CAS No:153556-55-9
MF:C8H6ClFO2
MW:188.583445072174
MDL:MFCD17169808
CID:3025738
PubChem ID:15313762
Update Time:2025-04-21

4-Chloro-2-fluoro-3-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-CHLORO-2-FLUORO-3-METHYL-BENZOIC
    • 4-Chloro-2-fluoro-3-methylbenzoic acid
    • 4-CHLORO-2-FLUORO-3-METHYL-BENZOIC ACID
    • COXKHUZMLXVVTE-UHFFFAOYSA-N
    • AK545113
    • CS-0061147
    • MFCD17169808
    • 153556-55-9
    • 4-chloro-2-fluoro-3-methylbenzoicacid
    • AKOS023100401
    • DS-19368
    • A10576
    • SCHEMBL7573655
    • DB-195487
    • MDL: MFCD17169808
    • Inchi: 1S/C8H6ClFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
    • InChI Key: COXKHUZMLXVVTE-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)O)C(=C1C)F

Computed Properties

  • Exact Mass: 188.0040353g/mol
  • Monoisotopic Mass: 188.0040353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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: 37.3
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.403±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 287.1±35.0 oC (760 Torr),
  • Flash Point: 127.5±25.9 oC,
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),

4-Chloro-2-fluoro-3-methylbenzoic acid Security Information

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