Cas no 51-39-8 (3,4,5-Trichlorobenzoic acid)

3,4,5-Trichlorobenzoic acid is a chlorinated benzoic acid derivative with the molecular formula C?H?Cl?O?. It is characterized by three chlorine substituents on the aromatic ring, which enhance its reactivity and stability under various conditions. This compound is primarily used as an intermediate in organic synthesis, particularly in the production of agrochemicals, pharmaceuticals, and specialty chemicals. Its high purity and consistent quality make it suitable for precise applications in research and industrial processes. The presence of multiple chlorine atoms also contributes to its utility in cross-coupling reactions and as a building block for more complex molecules. Proper handling and storage are recommended due to its potential irritant properties.
3,4,5-Trichlorobenzoic acid structure
3,4,5-Trichlorobenzoic acid structure
Product Name:3,4,5-Trichlorobenzoic acid
CAS No:51-39-8
MF:C7H3Cl3O2
MW:225.456519365311
MDL:MFCD00061128
CID:369509
PubChem ID:5812
Update Time:2025-06-23

3,4,5-Trichlorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4,5-Trichlorobenzoic acid
    • 3,?4,?5-?trichloroBenzoic acid
    • Benzoic acid,3,4,5-trichloro-
    • 3,4,5-Trichlor-benzoesaeure
    • BENZOIC ACID,3,4,5-TRICHLORO
    • 3,4,5-TRICHLORO-BENZOICACID
    • BENZOIC ACID, 3,4,5-TRICHLORO-
    • 3,4,5-trichlorobenzoicacid
    • ICUICNRYLHKQGS-UHFFFAOYSA-
    • STL119732
    • BBL009511
    • RP27601
    • VZ25418
    • TRA0042580
    • CM12870
    • BC638985
    • SY023214
    • A
    • SCHEMBL7263572
    • FT-0660892
    • AKOS005061393
    • AB01319759-02
    • J-511103
    • NCGC00325335-01
    • CHEBI:166849
    • 3,4,5-TRICHLORO-BENZOIC ACID
    • EN300-94783
    • AM20040590
    • DTXSID3075333
    • InChI=1/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
    • GS-3842
    • 51-39-8
    • BRN 3267440
    • AI3-33273
    • MFCD00061128
    • CS-W002282
    • benzoic acid, 3,4,5-trichloro-;zerenex e/1032158;
    • ICUICNRYLHKQGS-UHFFFAOYSA-N
    • DA-24829
    • MDL： MFCD00061128
    • Inchi： 1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
    • InChI Key： ICUICNRYLHKQGS-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C=C(C(=O)O)C=1)Cl)Cl
    • BRN： 3267440

Computed Properties

  • Exact Mass: 223.92000
  • Monoisotopic Mass: 223.919862
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 3.6
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.635
  • Melting Point: 208-210 oC
  • Boiling Point: 345.4°Cat760mmHg
  • Flash Point: 162.7°C
  • Refractive Index: 1.611
  • PSA: 37.30000
  • LogP: 3.34500

3,4,5-Trichlorobenzoic acid Pricemore >>

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3,4,5-Trichlorobenzoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:51-39-8)3,4,5-Trichlorobenzoic acid
Order Number:A828568
Stock Status:in Stock
Quantity:10g/25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):255.0/635.0

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Amadis Chemical Company Limited
(CAS:51-39-8)3,4,5-Trichlorobenzoic acid
A828568
Purity:99%/99%
Quantity:10g/25g
Price ($):255.0/635.0
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