Cas no 1261991-18-7 (2-chloro-5-(2,6-difluorophenyl)benzoic Acid)

2-Chloro-5-(2,6-difluorophenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular formula of C13H7ClF2O2. This compound features a benzoic acid core substituted with a chloro group at the 2-position and a 2,6-difluorophenyl moiety at the 5-position, imparting unique electronic and steric properties. Its structural characteristics make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring precise substitution patterns. The difluorophenyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality allows for further derivatization. This compound is typically used in research settings for its potential in constructing complex molecules with tailored biological activity.
2-chloro-5-(2,6-difluorophenyl)benzoic Acid structure
1261991-18-7 structure
Product Name:2-chloro-5-(2,6-difluorophenyl)benzoic Acid
CAS No:1261991-18-7
MF:C13H7ClF2O2
MW:268.643289804459
MDL:MFCD18320053
CID:1219777
PubChem ID:53225967
Update Time:2025-06-07

2-chloro-5-(2,6-difluorophenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-(2,6-difluorophenyl)benzoic Acid
    • MFCD18320053
    • AKOS013354188
    • DTXSID20689699
    • 4-Chloro-2',6'-difluoro[1,1'-biphenyl]-3-carboxylic acid
    • 1261991-18-7
    • 2-Chloro-5-(2,6-difluorophenyl)benzoic acid, 95%
    • MDL： MFCD18320053
    • Inchi： 1S/C13H7ClF2O2/c14-9-5-4-7(6-8(9)13(17)18)12-10(15)2-1-3-11(12)16/h1-6H,(H,17,18)
    • InChI Key： RPOXAUQRVXMGEL-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1C(=O)O)C1C(=CC=CC=1F)F

Computed Properties

  • Exact Mass: 268.0102635g/mol
  • Monoisotopic Mass: 268.0102635g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 303
  • 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: 3.9
  • Topological Polar Surface Area: 37.3?2

2-chloro-5-(2,6-difluorophenyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327196-5 g
2-Chloro-5-(2,6-difluorophenyl)benzoic acid, 95%; .
 1261991-18-7 95%
5g
 €1159.00 2023-04-26
abcr
AB327196-5g
2-Chloro-5-(2,6-difluorophenyl)benzoic acid, 95%; .
 1261991-18-7 95%
5g
 €1159.00 2025-04-21

2-chloro-5-(2,6-difluorophenyl)benzoic Acid Related Literature

Additional information on 2-chloro-5-(2,6-difluorophenyl)benzoic Acid

Introduction to CAS No. 1261991-18-7: 2-Chloro-5-(2,6-Difluorophenyl)Benzoic Acid

The compound with CAS No. 1261991-18-7, known as 2-chloro-5-(2,6-difluorophenyl)benzoic acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development and material science. The benzoic acid core of the molecule serves as a versatile platform for further functionalization, while the chlorine and fluorine substituents introduce specific electronic and steric effects that enhance its reactivity and biological activity.

Recent studies have highlighted the importance of halogenated aromatic compounds like 2-chloro-5-(2,6-difluorophenyl)benzoic acid in medicinal chemistry. The presence of multiple halogen atoms (chlorine and fluorine) in the molecule creates a highly electron-deficient aromatic ring system, which is advantageous for interactions with biological targets such as enzymes and receptors. This property makes it a promising candidate for the development of new pharmaceutical agents targeting various diseases, including cancer and infectious disorders.

The synthesis of CAS No. 1261991-18-7 involves advanced organic chemistry techniques, including Friedel-Crafts acylation and subsequent halogenation reactions. Researchers have optimized these methods to achieve high yields and purity levels, ensuring the compound's reliability for further studies. The molecule's stability under various conditions has also been thoroughly investigated, making it suitable for long-term storage and transportation.

In terms of applications, 2-chloro-5-(2,6-difluorophenyl)benzoic acid has shown potential in the development of agrochemicals due to its ability to inhibit key enzymes involved in plant growth regulation. Additionally, its electronic properties make it a candidate for use in organic electronics, particularly in the design of semiconducting materials for flexible electronics.

Recent advancements in computational chemistry have allowed for detailed modeling of CAS No. 1261991-18-7's molecular interactions with biological systems. These studies have provided insights into its binding affinities with various protein targets, paving the way for rational drug design strategies. Furthermore, the compound's ability to act as a chiral auxiliary in asymmetric synthesis has been explored, offering new avenues for enantioselective chemical transformations.

The environmental impact of 2-chloro-5-(2,6-difluorophenyl)benzoic acid has also been a focus of recent research efforts. Studies indicate that while the compound exhibits moderate biodegradability under aerobic conditions, its persistence in aquatic environments necessitates careful handling during industrial processes to minimize ecological risks.

In conclusion, CAS No. 1261991-18-7, or 2-chloro-5-(2,6-difluorophenyl)benzoic acid, represents a valuable molecule with diverse applications across multiple scientific disciplines. Its unique chemical properties and promising biological activity position it as a key player in future research and development endeavors.

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