Cas no 1178828-61-9 (2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid)

2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid is a versatile organic compound with distinct structural features. It offers a high degree of functional group substitution, enhancing its potential in various chemical reactions. The presence of chloro and trifluorophenyl groups provides electron-withdrawing effects, influencing reactivity and selectivity. This compound is suitable for synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, offering researchers a valuable tool for developing novel compounds.
2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid structure
1178828-61-9 structure
Product Name:2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid
CAS No:1178828-61-9
MF:C13H6ClF3O2
MW:286.633753299713
MDL:MFCD12859466
CID:2615561
PubChem ID:53211222
Update Time:2025-06-25

2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid
    • 2-Chloro-5-(2,4,6-trifluorophenyl)benzoic acid, 95%
    • AKOS005821428
    • 1178828-61-9
    • 4-Chloro-2',4',6'-trifluoro[1,1'-biphenyl]-3-carboxylic acid
    • DTXSID60681253
    • MFCD12859466
    • MDL: MFCD12859466
    • Inchi: 1S/C13H6ClF3O2/c14-9-2-1-6(3-8(9)13(18)19)12-10(16)4-7(15)5-11(12)17/h1-5H,(H,18,19)
    • InChI Key: YANTVVOPRQRMSF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C(=O)O)C1C(=CC(=CC=1F)F)F

Computed Properties

  • Exact Mass: 286.0008416Da
  • Monoisotopic Mass: 286.0008416Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 330
  • 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
  • Topological Polar Surface Area: 37.3?2

2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328273-5 g
2-Chloro-5-(2,4,6-trifluorophenyl)benzoic acid, 95%; .
1178828-61-9 95%
5g
€1159.00 2023-04-26
abcr
AB328273-5g
2-Chloro-5-(2,4,6-trifluorophenyl)benzoic acid, 95%; .
1178828-61-9 95%
5g
€1159.00 2025-04-22

Additional information on 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid

Professional Introduction to 2-chloro-5-(2,4,6-trifluorophenyl)benzoic Acid (CAS No. 1178828-61-9)

2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid, with the CAS number 1178828-61-9, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its chloro and trifluorophenyl substituents, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various bioactive molecules.

The structure of 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid consists of a benzoic acid core functionalized with a chloro group at the 2-position and a 2,4,6-trifluorophenyl group at the 5-position. This specific arrangement of substituents imparts distinct electronic and steric properties to the molecule, which are highly beneficial in medicinal chemistry applications. The presence of fluorine atoms, in particular, enhances the lipophilicity and metabolic stability of derivatives derived from this compound.

In recent years, 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid has been extensively studied for its potential in the development of novel therapeutic agents. Researchers have leveraged its structural features to design molecules with enhanced binding affinity and selectivity for target enzymes and receptors. For instance, studies have demonstrated its utility in the synthesis of inhibitors targeting various kinases and transcription factors, which are implicated in diverse diseases such as cancer and inflammatory disorders.

One of the most compelling aspects of 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid is its role as a building block in the construction of heterocyclic compounds. The benzoic acid moiety provides a versatile platform for further functionalization, while the chloro and trifluorophenyl groups serve as handles for selective chemical transformations. This flexibility has enabled chemists to generate a wide array of derivatives with tailored biological activities.

The pharmaceutical industry has shown particular interest in derivatives of 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid due to their potential as drug candidates. Preclinical studies have highlighted several promising compounds derived from this scaffold that exhibit potent activity against disease-causing targets. These findings underscore the importance of 1178828-61-9 as a key intermediate in drug discovery pipelines.

Beyond pharmaceutical applications, 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid has found utility in materials science. Its unique electronic properties make it suitable for use in organic electronics and optoelectronic devices. Researchers have explored its incorporation into organic semiconductors and light-emitting diodes (LEDs), where its molecular structure contributes to improved device performance.

The synthesis of 1178828-61-9 involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been developed to achieve high yields and purity levels, ensuring that researchers can reliably utilize this compound in their studies. Techniques such as palladium-catalyzed cross-coupling reactions and fluorination methods play crucial roles in constructing the desired molecular framework.

The growing body of research on 2-chloro-5-(2,4,6-trifluorophenyl)benzoic acid underscores its significance as a versatile chemical entity. As our understanding of its properties continues to expand, new applications and derivatives are likely to emerge, further solidifying its role in both academic research and industrial development.

In conclusion, 1178828-61-9 represents a compound of considerable interest due to its structural features and functional versatility. Its contributions to pharmaceutical chemistry and materials science highlight the importance of specialized intermediates in advancing scientific knowledge and technological innovation.

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