Cas no 90292-64-1 (BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL-)

BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL- structure
90292-64-1 structure
Product Name:BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL-
CAS No:90292-64-1
MF:C7H5ClF2
MW:162.564408063889
MDL:MFCD12922611
CID:3372198
PubChem ID:13251513
Update Time:2025-04-24

BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL-
    • 6-Chloro-2,5-difluorotoluene
    • SCHEMBL4812657
    • CS-0153670
    • AKOS006335887
    • 2-Chloro-3,6-difluorotoluene
    • 6-CHLORO-2,5-DIFLUORO-TOLUENE
    • BS-18225
    • MFCD12922611
    • SY317180
    • FKMLOQCUFPXYLI-UHFFFAOYSA-N
    • 2-Chloro-1,4-difluoro-3-methylbenzene
    • DTXSID201285209
    • 90292-64-1
    • MDL: MFCD12922611
    • Inchi: 1S/C7H5ClF2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3
    • InChI Key: FKMLOQCUFPXYLI-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=C(C=1C)F)F

Computed Properties

  • Exact Mass: 162.0047842g/mol
  • Monoisotopic Mass: 162.0047842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 118
  • 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: 3.1
  • Topological Polar Surface Area: 0?2

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Additional information on BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL-

BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL: A Comprehensive Overview

BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL (CAS No. 90292-64-1) is a highly specialized organic compound with a unique molecular structure that has garnered significant attention in various scientific and industrial applications. This compound is characterized by its benzene ring substituted with chlorine, fluorine, and methyl groups at specific positions, making it a valuable molecule in the fields of chemistry, materials science, and pharmacology.

The molecular structure of BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL consists of a benzene ring with substituents at positions 2, 3, and 4. The substituents include a chlorine atom at position 2, two fluorine atoms at positions 1 and 4 (forming a difluoro group), and a methyl group at position 3. This substitution pattern imparts unique electronic and steric properties to the molecule, which are crucial for its applications in various chemical reactions and material synthesis.

Recent studies have highlighted the importance of halogen substitution in aromatic compounds like BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL. The presence of chlorine and fluorine atoms introduces electron-withdrawing effects, which can significantly influence the reactivity of the molecule in electrophilic aromatic substitution reactions. Additionally, the methyl group at position 3 provides a slight electron-donating effect through its inductive effect, creating a balance between electron withdrawal and donation that can be exploited in various chemical transformations.

The synthesis of BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL involves multi-step processes that require precise control over reaction conditions to achieve the desired substitution pattern. One common approach involves the chlorination and fluorination of methylbenzene derivatives under specific catalytic conditions. Recent advancements in catalytic chemistry have enabled more efficient and selective synthesis methods for this compound.

In terms of applications, BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL has found utility in the pharmaceutical industry as an intermediate in drug synthesis. Its unique electronic properties make it a valuable building block for constructing complex molecular frameworks with potential therapeutic applications. Furthermore, this compound is being explored for its potential use in advanced materials such as organic semiconductors and sensors due to its ability to modulate electronic properties through halogen substitution.

Recent research has also focused on understanding the environmental fate and toxicity of BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL. Studies have shown that this compound exhibits moderate biodegradability under aerobic conditions but may pose risks to aquatic organisms if released into the environment. These findings underscore the importance of implementing proper waste management practices when handling this compound.

In conclusion, BENZENE, 2-CHLORO-1,4-DIFLUORO-3-METHYL (CAS No. 90292-64

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