Cas no 112641-25-5 (2-Chloro-6-methylbenzotrifluoride)

2-Chloro-6-methylbenzotrifluoride is a fluorinated aromatic compound characterized by the presence of a chloro and methyl substituent on a benzotrifluoride backbone. Its molecular structure, featuring a trifluoromethyl group, enhances its stability and reactivity, making it a valuable intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The chloro and methyl groups provide selective sites for further functionalization, enabling precise modifications in target molecules. This compound exhibits favorable solubility in common organic solvents, facilitating its use in various reaction conditions. Its well-defined chemical properties and high purity make it suitable for applications requiring controlled reactivity and consistent performance in specialized synthetic pathways.
2-Chloro-6-methylbenzotrifluoride structure
112641-25-5 structure
Product Name:2-Chloro-6-methylbenzotrifluoride
CAS No:112641-25-5
MF:C8H6ClF3
MW:194.581451892853
CID:1079642
PubChem ID:17995579
Update Time:2025-10-30

2-Chloro-6-methylbenzotrifluoride Chemical and Physical Properties

Names and Identifiers

    • AG-A-40336
    • AGN-PC-01NNZ2
    • Benzene, 1-chloro-3-methyl-2-(trifluoromethyl)-
    • CTK8E7441
    • SureCN5995973
    • DTXSID90592025
    • 3-Chloro-2-(trifluoromethyl)toluene
    • FS-4832
    • 2-Chloro-6-methylbenzotrifluoride
    • AKOS005255413
    • 1-chloro-3-methyl-2-(trifluoromethyl)benzene
    • 112641-25-5
    • SCHEMBL5995973
    • MFCD11100552
    • MDL: MFCD11100552
    • Inchi: 1S/C8H6ClF3/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3
    • InChI Key: DRFZWZZCMLHZDO-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(C)=C1C(F)(F)F

Computed Properties

  • Exact Mass: 194.0110124g/mol
  • Monoisotopic Mass: 194.0110124g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 3.8
  • Topological Polar Surface Area: 0?2

2-Chloro-6-methylbenzotrifluoride Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-Chloro-6-methylbenzotrifluoride Pricemore >>

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Additional information on 2-Chloro-6-methylbenzotrifluoride

Introduction to 2-Chloro-6-methylbenzotrifluoride (CAS No. 112641-25-5)

2-Chloro-6-methylbenzotrifluoride, also known by its CAS number 112641-25-5, is a compound of significant interest in the field of organic chemistry and materials science. This compound is a derivative of benzene, with a trifluoromethyl group attached at the para position relative to the chlorine atom. The structure of this compound is characterized by its aromatic ring, which is substituted with both a chlorine atom and a trifluoromethyl group, making it a valuable molecule for various applications.

The synthesis of 2-Chloro-6-methylbenzotrifluoride involves a series of carefully controlled reactions, including Friedel-Crafts alkylation and subsequent fluorination processes. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing the environmental footprint of its production. This has made the compound more accessible for research and industrial applications.

In terms of physical properties, 2-Chloro-6-methylbenzotrifluoride exhibits a high degree of stability under standard conditions. Its melting point and boiling point are well-documented, making it suitable for use in various chemical processes. The compound's solubility in common solvents is another critical factor that influences its application in organic synthesis and material science.

The chemical reactivity of 2-Chloro-6-methylbenzotrifluoride is a topic of ongoing research. Studies have shown that the trifluoromethyl group imparts unique electronic properties to the molecule, enhancing its ability to participate in electrophilic aromatic substitution reactions. This makes it a valuable precursor in the synthesis of more complex aromatic compounds.

Recent research has highlighted the potential of 2-Chloro-6-methylbenzotrifluoride in drug discovery and development. Its structure allows for the exploration of various pharmacophores, which are essential for designing molecules with specific biological activities. Additionally, the compound has been investigated for its role in polymer chemistry, where it serves as a building block for advanced materials with tailored properties.

In conclusion, 2-Chloro-6-methylbenzotrifluoride (CAS No. 112641-25-5) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application techniques, positions it as an important molecule in contemporary chemical research and industry.

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