Cas no 66640-63-9 (Benzene,1,4-dichloro-2-(methylsulfonyl)-)

Benzene,1,4-dichloro-2-(methylsulfonyl)- is a chlorinated aromatic compound featuring a methylsulfonyl substituent, offering distinct reactivity and stability for specialized synthetic applications. Its dichloro and sulfonyl functional groups make it a versatile intermediate in organic synthesis, particularly for constructing complex molecules in pharmaceuticals and agrochemicals. The electron-withdrawing nature of the sulfonyl group enhances its utility in nucleophilic substitution reactions, while the chlorine atoms provide sites for further functionalization. This compound’s well-defined structure and purity ensure consistent performance in research and industrial processes. Its stability under standard conditions facilitates handling and storage, making it a reliable choice for advanced chemical synthesis.
Benzene,1,4-dichloro-2-(methylsulfonyl)- structure
66640-63-9 structure
Product Name:Benzene,1,4-dichloro-2-(methylsulfonyl)-
CAS No:66640-63-9
MF:C7H6Cl2O2S
MW:225.092339038849
MDL:MFCD03789183
CID:529167
PubChem ID:181822
Update Time:2025-10-29

Benzene,1,4-dichloro-2-(methylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,4-dichloro-2-(methylsulfonyl)-
    • 1,4-Dichloro-2-(methylsulfonyl)benzene
    • (2,5-dichloro-phenyl)-methyl sulfone
    • (2,5-Dichlor-phenyl)-methyl-sulfon
    • 1,4-dichloro-2-(methylsulphonyl)benzene
    • 2,5-dichlorophenylmethylsulfone
    • AC1L49QT
    • CTK5C4990
    • SBB096788
    • SureCN4589791
    • FS-4892
    • 66640-63-9
    • MFCD03789183
    • CS-0331427
    • AKOS015849984
    • 1,4-dichloro-2-methylsulfonylbenzene
    • Benzene, 1,4-dichloro-2-(methylsulfonyl)-
    • 1,4-dichloro-2-methanesulfonylbenzene
    • SCHEMBL4589791
    • DTXSID40216805
    • 2,5-Dichlorophenyl methyl sulfone
    • E89707
    • methylsulphonyl-2,5-dichlorobenzene
    • MDL: MFCD03789183
    • Inchi: 1S/C7H6Cl2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
    • InChI Key: PBBNXJVBRMNLIN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1S(C)(=O)=O)Cl

Computed Properties

  • Exact Mass: 223.94668
  • Monoisotopic Mass: 223.9465560g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 245
  • 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: 2.2
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14

Benzene,1,4-dichloro-2-(methylsulfonyl)- Pricemore >>

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Additional information on Benzene,1,4-dichloro-2-(methylsulfonyl)-

Comprehensive Overview of Benzene,1,4-dichloro-2-(methylsulfonyl)- (CAS No. 66640-63-9)

Benzene,1,4-dichloro-2-(methylsulfonyl)- (CAS No. 66640-63-9) is a specialized organic compound that has garnered significant attention in industrial and research applications due to its unique chemical structure. This compound features a benzene ring substituted with two chlorine atoms at the 1 and 4 positions and a methylsulfonyl group at the 2 position. Its molecular formula is C7H6Cl2O2S, and it is often referred to in scientific literature by its systematic name or CAS number. Researchers and manufacturers frequently search for terms like "1,4-dichloro-2-(methylsulfonyl)benzene properties" or "CAS 66640-63-9 applications" to explore its potential uses.

The compound's methylsulfonyl group contributes to its polar nature, making it soluble in organic solvents like dimethyl sulfoxide (DMSO) and acetone. This property is critical for its role in synthetic chemistry, where it serves as an intermediate in the production of agrochemicals, pharmaceuticals, and specialty polymers. Recent trends in green chemistry have led to increased interest in optimizing the synthesis of Benzene,1,4-dichloro-2-(methylsulfonyl)- to reduce environmental impact. Queries such as "sustainable synthesis of methylsulfonyl benzene derivatives" reflect this growing focus.

In analytical chemistry, Benzene,1,4-dichloro-2-(methylsulfonyl)- is often analyzed using techniques like high-performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GC-MS). Its distinct spectral signatures (e.g., NMR and IR) are well-documented, aiding in its identification. Laboratories frequently search for "HPLC methods for CAS 66640-63-9" or "spectral data of dichloromethylsulfonyl benzene" to streamline workflows. The compound's stability under controlled conditions also makes it a candidate for studying reaction mechanisms involving sulfonyl and halogenated aromatic systems.

The industrial relevance of Benzene,1,4-dichloro-2-(methylsulfonyl)- extends to material science, where its derivatives are explored for advanced polymer coatings and electronic materials. With the rise of nanotechnology, researchers are investigating its potential in creating functionalized surfaces. Popular search terms like "methylsulfonyl benzene in nanomaterials" highlight this intersection. Additionally, its role in cross-coupling reactions—a hot topic in catalytic chemistry—has spurred studies on its reactivity with palladium and other transition metal catalysts.

Safety and handling of Benzene,1,4-dichloro-2-(methylsulfonyl)- are governed by standard laboratory protocols. While not classified under stringent regulatory categories, proper storage away from strong oxidizers and moisture is recommended. Environmental persistence and biodegradability data are areas of ongoing research, aligning with global demands for "eco-friendly halogenated compounds." Regulatory databases often list this compound under its CAS No. 66640-63-9, making it essential for compliance-driven searches.

In conclusion, Benzene,1,4-dichloro-2-(methylsulfonyl)- (CAS No. 66640-63-9) is a versatile chemical with broad utility in research and industry. Its structural features and reactivity continue to inspire innovations, particularly in sustainable chemistry and advanced materials. As interest grows, so does the need for accessible data on its synthesis, analysis, and applications—addressed by targeted keywords like "dichloromethylsulfonyl benzene uses" and "CAS 66640-63-9 suppliers."

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