Cas no 150444-95-4 (3-Chloro-4,5-difluorobenzoic acid)

3-Chloro-4,5-difluorobenzoic acid is a fluorinated benzoic acid derivative with significant utility in pharmaceutical and agrochemical synthesis. Its distinct substitution pattern—chloro and difluoro groups at the 3, 4, and 5 positions—enhances its reactivity as a building block for complex molecules, particularly in cross-coupling reactions and derivatization processes. The electron-withdrawing effects of the halogen substituents improve its stability and compatibility with harsh reaction conditions. This compound is valued for its high purity and consistent performance in fine chemical applications, serving as a key intermediate in the development of bioactive compounds. Its structural features make it a versatile precursor in medicinal chemistry and material science research.
3-Chloro-4,5-difluorobenzoic acid structure
150444-95-4 structure
Product Name:3-Chloro-4,5-difluorobenzoic acid
CAS No:150444-95-4
MF:C7H3ClF2O2
MW:192.547328233719
MDL:MFCD04972707
CID:135151
PubChem ID:14949363
Update Time:2025-06-09

3-Chloro-4,5-difluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4,5-difluorobenzoic acid
    • 3-CHLORO-4,5-DIFLUORO-BENZOIC ACID
    • Benzoic acid,3-chloro-4,5-difluoro-
    • ACMC-1C6UY
    • AGN-PC-00331T
    • CTK4C6645
    • PubChem4741
    • SBB064324
    • SureCN2431319
    • 5-Chloro-3,4-difluorobenzoic acid
    • FT-0652691
    • MFCD04972707
    • SY258292
    • AKOS005063904
    • SCHEMBL2431319
    • DTXSID20565924
    • Benzoic acid, 3-chloro-4,5-difluoro-
    • 150444-95-4
    • RRJYBDSJDKWHOS-UHFFFAOYSA-N
    • DS-12273
    • A19971
    • 2-PYRIDINEALDOXIMEMETHYLMETHANESULFONATE
    • CL8080
    • EN300-192703
    • CS-0157721
    • 3-chloro -4,5-difluorobenzoic acid
    • 3-CHLORO-4,5-DIFLUOROBENZOICACID
    • MDL： MFCD04972707
    • Inchi： 1S/C7H3ClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
    • InChI Key： RRJYBDSJDKWHOS-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=CC(C(=O)O)=C1)F)F

Computed Properties

  • Exact Mass: 191.97899
  • Monoisotopic Mass: 191.9789634g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 2.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.573±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 283.3±35.0 oC (760 Torr),
  • Flash Point: 125.1±25.9 oC,
  • Solubility: Almost insoluble (0.052 g/l) (25 o C),
  • PSA: 37.3

3-Chloro-4,5-difluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
032805-1g
3-Chloro-4,5-difluoro-benzoic acid
 150444-95-4 95%
1g
 ￡54.00 2022-03-01
Fluorochem
032805-5g
3-Chloro-4,5-difluoro-benzoic acid
 150444-95-4 95%
5g
 ￡160.00 2022-03-01
Fluorochem
032805-10g
3-Chloro-4,5-difluoro-benzoic acid
 150444-95-4 95%
10g
 ￡295.00 2022-03-01
Fluorochem
032805-25g
3-Chloro-4,5-difluoro-benzoic acid
 150444-95-4 95%
25g
 ￡633.00 2022-03-01
Alichem
A013026208-250mg
3-Chloro-4,5-difluorobenzoic acid
 150444-95-4 97%
250mg
 504.00 USD 2021-06-22
Alichem
A013026208-500mg
3-Chloro-4,5-difluorobenzoic acid
 150444-95-4 97%
500mg
 782.40 USD 2021-06-22
Alichem
A013026208-1g
3-Chloro-4,5-difluorobenzoic acid
 150444-95-4 97%
1g
 1,445.30 USD 2021-06-22
TRC
C585358-50mg
3-Chloro-4,5-difluorobenzoic Acid
 150444-95-4
50mg
 $ 50.00 2022-06-06
TRC
C585358-100mg
3-Chloro-4,5-difluorobenzoic Acid
 150444-95-4
100mg
 $ 65.00 2022-06-06
TRC
C585358-500mg
3-Chloro-4,5-difluorobenzoic Acid
 150444-95-4
500mg
 $ 115.00 2022-06-06

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