Cas no 1261871-99-1 (4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid)

4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular structure featuring both fluorine and trifluoromethyl substituents. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in synthetic chemistry. The presence of electron-withdrawing groups enhances its reactivity in coupling and substitution reactions, making it valuable for constructing complex molecules. Its stability under standard conditions and compatibility with various organic solvents further contribute to its utility in fine chemical synthesis. The compound’s distinct structural features may also lend themselves to applications in materials science, particularly in the development of specialty polymers or liquid crystals.
4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid structure
1261871-99-1 structure
Product Name:4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid
CAS No:1261871-99-1
MF:C14H8F4O2
MW:284.205738067627
MDL:MFCD18321729
CID:2620637
PubChem ID:53211743
Update Time:2025-06-08

4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1261871-99-1
    • MFCD18321729
    • 5-Fluoro-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid
    • 4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid, 95%
    • AKOS012097877
    • DTXSID30681442
    • 4-FLUORO-2-(2-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
    • 4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid
    • MDL: MFCD18321729
    • Inchi: 1S/C14H8F4O2/c15-8-5-6-10(13(19)20)11(7-8)9-3-1-2-4-12(9)14(16,17)18/h1-7H,(H,19,20)
    • InChI Key: MOTJXJCVXDHABS-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C1C=C(C=CC=1C(=O)O)F)(F)F

Computed Properties

  • Exact Mass: 284.04604214Da
  • Monoisotopic Mass: 284.04604214Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 356
  • 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: 4.1
  • Topological Polar Surface Area: 37.3?2

4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011009293-250mg
5-Fluoro-2'-(trifluoromethyl)biphenyl-2-carboxylic acid
1261871-99-1 97%
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Alichem
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Alichem
A011009293-1g
5-Fluoro-2'-(trifluoromethyl)biphenyl-2-carboxylic acid
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abcr
AB328970-5g
4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid, 95%; .
1261871-99-1 95%
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€1159.00 2025-04-21
abcr
AB328970-5 g
4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid, 95%; .
1261871-99-1 95%
5g
€1159.00 2023-04-26

Additional information on 4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid

Professional Introduction to 4-Fluoro-2-(2-trifluoromethylphenyl)benzoic Acid (CAS No. 1261871-99-1)

4-Fluoro-2-(2-trifluoromethylphenyl)benzoic acid, with the chemical identifier CAS No. 1261871-99-1, is a significant compound in the realm of pharmaceutical and chemical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that include a fluoro substituent at the fourth position and a trifluoromethylphenyl group at the second position. These structural attributes contribute to its distinctive chemical properties, making it a valuable intermediate in the synthesis of various pharmacologically active molecules.

The presence of both fluoro and trifluoromethyl groups in the molecular structure of 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid imparts significant electronic and steric effects. The fluoro group is known for its ability to modulate metabolic stability and binding affinity, while the trifluoromethyl group enhances lipophilicity and metabolic resistance. These properties make the compound particularly interesting for drug discovery and development, as they can influence both the pharmacokinetic and pharmacodynamic profiles of potential therapeutic agents.

In recent years, there has been growing interest in benzoic acid derivatives due to their diverse biological activities. Studies have demonstrated that compounds containing these structural motifs exhibit a range of pharmacological effects, including anti-inflammatory, antimicrobial, and anticancer properties. The specific combination of substituents in 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid positions it as a promising candidate for further investigation in these areas.

One of the most compelling aspects of 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid is its potential application in the development of novel therapeutic agents. Researchers have been exploring its utility as a precursor in the synthesis of small-molecule inhibitors targeting various disease pathways. For instance, studies have indicated that derivatives of this compound may interact with enzymes involved in cancer cell proliferation and survival, offering a potential therapeutic strategy for oncological applications.

The synthetic pathways for 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid have also been subjects of considerable interest. The synthesis typically involves multi-step organic transformations, including fluorination and trifluoromethylation reactions, which are critical for introducing the characteristic functional groups into the molecule. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it feasible to conduct large-scale studies and clinical trials.

The pharmacological evaluation of 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid has revealed several intriguing findings. Preclinical studies have shown that this compound exhibits moderate binding affinity to certain biological targets, suggesting its potential as a lead compound for further optimization. Additionally, its structural features have been found to enhance drug-like properties such as solubility and bioavailability, which are essential for successful drug development.

In conclusion, 4-fluoro-2-(2-trifluoromethylphenyl)benzoic acid (CAS No. 1261871-99-1) represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural composition and demonstrated biological activities make it a valuable asset in the quest for novel therapeutic agents. As research continues to uncover new applications and synthetic strategies for this compound, its importance in drug discovery is likely to grow even further.

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