Cas no 1261954-66-8 (3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid)

3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid is a fluorinated aromatic carboxylic acid derivative characterized by its unique structural features, including a trifluoromethyl group and dimethyl-substituted phenyl ring. These functional groups contribute to its distinct electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the dimethylphenyl moiety may influence regioselectivity in further derivatization. This compound is suitable for use in cross-coupling reactions, esterification, or amidation processes. Its well-defined structure allows for precise modifications, supporting the development of specialized fine chemicals with tailored properties.
3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid structure
1261954-66-8 structure
Product Name:3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261954-66-8
MF:C16H13F3O2
MW:294.268435239792
MDL:MFCD18319309
CID:2621542
PubChem ID:53225237
Update Time:2025-06-08

3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2,5-DIMETHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • 2',5'-Dimethyl-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • 3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid, 95%
    • 1261954-66-8
    • MFCD18319309
    • DTXSID60688969
    • 3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid
    • MDL： MFCD18319309
    • Inchi： 1S/C16H13F3O2/c1-9-3-4-10(2)14(5-9)11-6-12(15(20)21)8-13(7-11)16(17,18)19/h3-8H,1-2H3,(H,20,21)
    • InChI Key： BQNVEKNHSGRYIE-UHFFFAOYSA-N
    • SMILES： FC(C1=CC(C(=O)O)=CC(=C1)C1C=C(C)C=CC=1C)(F)F

Computed Properties

  • Exact Mass: 294.08676414Da
  • Monoisotopic Mass: 294.08676414Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 380
  • 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: 4.7
  • Topological Polar Surface Area: 37.3?2

3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326314-5 g
3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
 1261954-66-8 95%
5g
 €1159.00 2023-04-26
abcr
AB326314-5g
3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
 1261954-66-8 95%
5g
 €1159.00 2025-02-27

3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid Related Literature

1261954-66-8 (3-(2,5-Dimethylphenyl)-5-trifluoromethylbenzoic acid) Related Products

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.