Cas no 75462-56-5 (2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene)

2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene is a halogenated aromatic compound featuring both chloro and trifluoromethyl functional groups, which enhance its reactivity and utility in organic synthesis. The presence of a chloromethyl group at the 4-position allows for further functionalization, making it a versatile intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group contributes to increased lipophilicity and metabolic stability, often desirable in bioactive molecules. The compound's well-defined structure and high purity ensure consistent performance in cross-coupling reactions, nucleophilic substitutions, and other transformations. Suitable for controlled environments, it requires careful handling due to its reactive chloro substituents.
2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene structure
75462-56-5 structure
Product Name:2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene
CAS No:75462-56-5
MF:C8H5Cl2F3
MW:229.026510953903
MDL:MFCD13194731
CID:3372308
PubChem ID:22234987
Update Time:2025-06-14

2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 2-CHLORO-4-(CHLOROMETHYL)-1-(TRIFLUOROMETHYL)-
    • 991-660-7
    • 2-chloro-4-(chloromethyl)-1-(trifluoromethyl)benzene
    • ADA46256
    • DB-149497
    • 3-chloro-4-(trifluoromethyl)benzyl chloride
    • EN300-1938938
    • 75462-56-5
    • SCHEMBL4656217
    • MFCD13194731
    • 2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene
    • MDL: MFCD13194731
    • Inchi: 1S/C8H5Cl2F3/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
    • InChI Key: YCWDJUYBLHBSSZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(CCl)C=CC=1C(F)(F)F

Computed Properties

  • Exact Mass: 227.9720400g/mol
  • Monoisotopic Mass: 227.9720400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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-4-(chloromethyl)-1-(trifluoromethyl)-benzene Pricemore >>

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Additional information on 2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene

Comprehensive Overview of 2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene (CAS No. 75462-56-5)

2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene (CAS No. 75462-56-5) is a specialized aromatic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring both chloromethyl and trifluoromethyl functional groups, makes it a versatile building block for synthesizing high-value derivatives. This compound has garnered significant attention due to its role in developing innovative solutions for modern industrial challenges, aligning with trends like sustainable chemistry and precision manufacturing.

In recent years, the demand for halogenated benzene derivatives like 2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene has surged, driven by their applications in crop protection chemicals and electronic materials. Researchers frequently explore its reactivity in cross-coupling reactions and nucleophilic substitutions, addressing common search queries such as "how to modify trifluoromethyl groups" or "chloromethyl benzene derivatives in drug discovery." The compound's stability under controlled conditions also makes it a subject of interest for green chemistry initiatives, where reducing environmental impact is a priority.

The synthesis of CAS No. 75462-56-5 typically involves multi-step processes, including Friedel-Crafts alkylation and halogenation, which are frequently discussed in academic forums. Analytical techniques like HPLC and NMR spectroscopy are essential for verifying its purity, a critical factor for industries requiring high-grade intermediates. Users often search for "spectral data of chloromethyl-trifluoromethyl benzene" or "safety handling guidelines," reflecting the need for accessible technical resources.

From a commercial perspective, 2-Chloro-4-(chloromethyl)-1-(trifluoromethyl)-benzene is traded under stringent quality standards, with suppliers emphasizing batch-to-batch consistency and regulatory compliance. Its relevance in patented pharmaceutical formulations has also sparked discussions about intellectual property trends, linking to popular search terms like "novel benzene derivatives in patents." Furthermore, its potential in liquid crystal and OLED material development aligns with the booming electronics sector, where functionalized aromatics are key to performance optimization.

In conclusion, CAS No. 75462-56-5 exemplifies the intersection of innovation and practicality in organic chemistry. Its adaptability across industries—from agrochemicals to advanced materials—ensures its continued prominence in scientific literature and industrial applications. By addressing user queries like "applications of trifluoromethyl benzene compounds" or "synthetic routes for chloromethyl aromatics," this overview bridges technical expertise with real-world relevance, fostering informed decision-making for researchers and manufacturers alike.

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