Cas no 3119-64-0 (4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride)

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl chloride is a versatile sulfonylating agent widely used in organic synthesis and pharmaceutical intermediate production. This compound features two reactive chlorosulfonyl groups, enabling efficient introduction of sulfonyl functionalities into target molecules. Its bifunctional nature allows for selective modifications, making it valuable in the preparation of sulfonamides, sulfonate esters, and other derivatives. The high reactivity of the chlorosulfonyl groups ensures effective coupling with nucleophiles under mild conditions. Additionally, its aromatic backbone provides stability, facilitating handling and storage. This reagent is particularly useful in medicinal chemistry for constructing complex sulfonyl-containing scaffolds. Proper safety measures should be observed due to its moisture sensitivity and potential corrosivity.
4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride structure
3119-64-0 structure
Product Name:4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride
CAS No:3119-64-0
MF:C13H10Cl2O4S2
MW:365.252099514008
MDL:MFCD00012363
CID:294854
PubChem ID:87577970
Update Time:2025-10-30

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 4,4'-Methylenebis(benzenesulfonyl Chloride)
    • 4-[(4-chlorosulfonylphenyl)methyl]benzenesulfonyl chloride
    • 4-[4-(Chlorosulfonyl)benzyl]-benzenesulfonyl chloride
    • 4,4'-Methandiyl-bis-benzolsulfonylchlorid
    • 4,4'-methanediyl-bis-benzenesulfonyl chloride
    • Bis(4-chlorosulfonylphenyl)methane
    • diphenylmethane-4,4'-disulfonyl chloride
    • Diphenylmethane-4,4'-disulphonyl chloride
    • 4,4-METHYLENEBIS(BENZENESULFONYLCHLORIDE)
    • Benzenesulfonyl chloride, 4,4'-methylenebis-
    • C13H10Cl2O4S2
    • 9848AD
    • 4,4'-methylenedibenzene-1-sulfonyl chloride
    • M1556
    • 4,4'-Methylenedi(benzene-1-sulfonyl chloride)
    • T7
    • 4,4-METHYLENEBIS(BENZENESULFONYL CHLORIDE)
    • AKOS015889339
    • 3119-64-0
    • J-018276
    • DTXSID30391877
    • SCHEMBL2263958
    • 4,4'-Methylenebis(benzenesulfonyl chloride), 97%
    • T72275
    • MFCD00012363
    • FT-0634678
    • 4-[4-(Chlorosulfonyl)benzyl]benzenesulfonyl chloride
    • DB-047982
    • 4-{[4-(chlorosulfonyl)phenyl]methyl}benzenesulfonyl chloride
    • 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride
    • MDL: MFCD00012363
    • Inchi: 1S/C13H10Cl2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2
    • InChI Key: YKMMQCFZCFAHOU-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(=CC=1)CC1C=CC(=CC=1)S(=O)(=O)Cl)(=O)=O

Computed Properties

  • Exact Mass: 363.94000
  • Monoisotopic Mass: 363.94
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 482
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9
  • Topological Polar Surface Area: 85

Experimental Properties

  • Color/Form: Not available
  • Density: 1.508
  • Melting Point: 123.0 to 127.0 deg-C
  • Boiling Point: 483.9°C at 760 mmHg
  • Flash Point: 246.4°C
  • Refractive Index: 1.604
  • PSA: 85.04000
  • LogP: 5.29400
  • Solubility: Not available

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride Security Information

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride Pricemore >>

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4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride Related Literature

Additional information on 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride

Professional Introduction to 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride (CAS No. 3119-64-0)

4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride, with the CAS number 3119-64-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and chemical biology. This compound belongs to the class of sulfonyl chlorides, which are widely recognized for their utility in synthetic transformations and as intermediates in the development of various bioactive molecules.

The structure of 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride features a benzene ring substituted with two sulfonyl chloride groups, one of which is further functionalized with a chlorosulfonyl group. This unique structural motif makes it a valuable reagent in organic synthesis, particularly in the introduction of sulfonyl groups into other molecules. The presence of the chlorosulfonyl group enhances its reactivity, making it a potent tool for the synthesis of sulfonamides, sulfonates, and other derivatives that are crucial in medicinal chemistry.

In recent years, there has been a surge in research focused on the development of novel sulfonamide-based drugs due to their broad spectrum of biological activities. Sulfonamides are known for their antimicrobial, anti-inflammatory, and anticancer properties, among others. The compound 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride serves as an excellent starting material for the synthesis of complex sulfonamide derivatives. Its ability to undergo nucleophilic substitution reactions with a wide range of nucleophiles allows for the facile introduction of diverse functional groups, thereby enabling the creation of structurally diverse libraries of bioactive compounds.

One of the most compelling applications of 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride is in the synthesis of protease inhibitors. Proteases play a critical role in numerous biological processes, and their inhibition is often a key strategy in the treatment of diseases such as cancer, HIV, and hepatitis. The sulfonyl chloride functionality in this compound allows for the formation of covalent bonds with reactive sites on protease enzymes, leading to their inhibition. This has been particularly useful in the development of drugs that target specific proteases involved in disease pathways.

The compound has also shown promise in the field of materials science. Sulfonyl chlorides are known to react with amines to form sulfonamides, which can be further functionalized to create polymers and coatings with enhanced properties. The high reactivity and versatility of 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride make it an attractive candidate for developing advanced materials with applications ranging from electronics to biodegradable polymers.

Recent studies have highlighted the importance of green chemistry principles in drug synthesis. The use of sustainable reagents and methodologies that minimize waste and energy consumption is becoming increasingly important. 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride, while highly reactive, can be used efficiently in catalytic amounts, reducing the overall amount of waste generated during its application. This aligns well with green chemistry principles and makes it an environmentally friendly choice for synthetic chemists.

The compound's utility extends beyond pharmaceuticals and materials science. It has been explored as a tool in chemical biology for studying protein-protein interactions and enzyme mechanisms. By modifying proteins with sulfonamide derivatives derived from this compound, researchers can gain insights into biological pathways and develop targeted therapies.

In conclusion, 4-4-(Chlorosulfonyl)benzylbenzenesulfonyl Chloride (CAS No. 3119-64-0) is a versatile and highly reactive compound with significant applications in pharmaceutical chemistry, materials science, and chemical biology. Its unique structural features make it an invaluable reagent for synthesizing sulfonamide derivatives that have broad biological activities. As research continues to evolve, this compound is likely to play an even greater role in the development of new drugs and advanced materials.

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