Cas no 1261477-13-7 (4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid)

4-Chloro-3-[2-(trifluoromethyl)phenyl]benzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular structure featuring both chloro and trifluoromethyl substituents. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in drug design. The chloro substituent further contributes to its reactivity in cross-coupling and substitution reactions. The benzoic acid moiety allows for functionalization into esters, amides, or other derivatives. This compound is characterized by high purity and consistent performance, ensuring reliability in research and industrial applications. Proper handling and storage are recommended due to its potential reactivity.
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid structure
1261477-13-7 structure
Product Name:4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid
CAS No:1261477-13-7
MF:C14H8ClF3O2
MW:300.660333633423
MDL:MFCD18321747
CID:1222961
PubChem ID:52984139
Update Time:2025-05-20

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid
    • 1261477-13-7
    • 6-Chloro-2'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid
    • 4-Chloro-3-(2-trifluoromethylphenyl)benzoic acid, 95%
    • DTXSID10680892
    • 6-Chloro-2'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • MFCD18321747
    • A1-75456
    • 4-CHLORO-3-(2-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
    • MDL： MFCD18321747
    • Inchi： 1S/C14H8ClF3O2/c15-12-6-5-8(13(19)20)7-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
    • InChI Key： YHRDBCCFUJRONC-UHFFFAOYSA-N
    • SMILES： ClC1=CC=C(C(=O)O)C=C1C1C=CC=CC=1C(F)(F)F

Computed Properties

  • Exact Mass: 300.0164917g/mol
  • Monoisotopic Mass: 300.0164917g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 359
  • 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: 4.6
  • Topological Polar Surface Area: 37.3?2

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328988-5 g
4-Chloro-3-(2-trifluoromethylphenyl)benzoic acid, 95%; .
 1261477-13-7 95%
5g
 €1159.00 2023-04-26
Alichem
A011006358-250mg
6-Chloro-2'-(trifluoromethyl)biphenyl-3-carboxylic acid
 1261477-13-7 97%
250mg
 $504.00 2023-09-03
Alichem
A011006358-500mg
6-Chloro-2'-(trifluoromethyl)biphenyl-3-carboxylic acid
 1261477-13-7 97%
500mg
 $831.30 2023-09-03
Alichem
A011006358-1g
6-Chloro-2'-(trifluoromethyl)biphenyl-3-carboxylic acid
 1261477-13-7 97%
1g
 $1534.70 2023-09-03
abcr
AB328988-5g
4-Chloro-3-(2-trifluoromethylphenyl)benzoic acid, 95%; .
 1261477-13-7 95%
5g
 €1159.00 2025-04-21

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid Related Literature

Additional information on 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid

Comprehensive Overview of 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid (CAS No. 1261477-13-7)

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid (CAS No. 1261477-13-7) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its unique structural features, including a trifluoromethyl group and a chloro-substituted benzoic acid moiety, make it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industries are increasingly focusing on fluorinated compounds due to their enhanced metabolic stability and bioavailability, aligning with current trends in drug discovery.

The compound’s CAS No. 1261477-13-7 is frequently searched in scientific databases, reflecting its relevance in medicinal chemistry. Recent studies highlight its potential as a building block for kinase inhibitors and anti-inflammatory agents, addressing growing demand for targeted therapies. With the rise of AI-driven drug design, queries like "4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid applications" or "CAS 1261477-13-7 synthesis" have surged, underscoring its interdisciplinary importance.

From a synthetic perspective, 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid exemplifies modern cross-coupling methodologies, particularly Suzuki-Miyaura reactions, which dominate peer-reviewed literature. Its trifluoromethyl group enhances lipophilicity, a key parameter in optimizing drug candidates for CNS penetration—a hot topic in neurodegenerative disease research. This aligns with frequent searches such as "fluorinated compounds in drug development" and "benzoic acid derivatives uses."

Environmental and regulatory considerations also drive interest in this compound. Its chloro and trifluoromethyl substituents are scrutinized under green chemistry principles, prompting innovations in catalytic degradation. SEO analytics reveal related queries like "sustainable synthesis of halogenated aromatics," reflecting industry shifts toward eco-friendly practices.

In summary, 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoic Acid (CAS No. 1261477-13-7) bridges cutting-edge science and industrial demand. Its versatility in pharmaceutical intermediates and alignment with AI-aided molecular design trends ensure sustained relevance. As research progresses, this compound will likely remain pivotal in addressing challenges from drug resistance to environmental sustainability.

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