Cas no 63452-62-0 (5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride)

5-tert-Butyl-2-methylbenzene-1-sulfonyl chloride is a sulfonyl chloride derivative characterized by its tert-butyl and methyl substituents on the benzene ring. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the preparation of sulfonamides and sulfonate esters. Its sterically hindered structure enhances selectivity in reactions, making it valuable for constructing complex molecular frameworks. The electron-withdrawing sulfonyl chloride group facilitates nucleophilic substitution, enabling efficient derivatization. The compound is typically handled under anhydrous conditions due to its moisture sensitivity. Its stability and reactivity profile make it suitable for applications in pharmaceuticals, agrochemicals, and specialty chemicals, where precise functionalization is required. Proper storage and handling are essential to maintain its integrity.
5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride structure
63452-62-0 structure
Product Name:5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride
CAS No:63452-62-0
MF:C11H15ClO2S
MW:246.753601312637
CID:960251
PubChem ID:5168879
Update Time:2025-10-16

5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • benzenesulfonyl chloride, 5-(1,1-dimethylethyl)-2-methyl- (9ci)
    • 5-tert-Butyl-2-methylbenzenesulfonyl chloride
    • 5-tert-Butyl-2-methyl-benzenesulfonyl chloride
    • CS-0218708
    • AKOS000303364
    • 63452-62-0
    • DA-04150
    • 5-tert-butyl-2-methylbenzene-1-sulfonyl chloride
    • SCHEMBL1727029
    • G26209
    • A914718
    • 3-(1,1-dimethylethyl)-6-methylbenzenesulfonyl chloride
    • 5-tert-Butyl-2-methyl-benzenesulfonyl chloride, AldrichCPR
    • EN300-01796
    • OVTOPAMDBHJZNS-UHFFFAOYSA-N
    • DTXSID50409100
    • 5-(tert-Butyl)-2-methylbenzene-1-sulfonyl chloride
    • 5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride
    • MDL： MFCD03147400
    • Inchi： 1S/C11H15ClO2S/c1-8-5-6-9(11(2,3)4)7-10(8)15(12,13)14/h5-7H,1-4H3
    • InChI Key： OVTOPAMDBHJZNS-UHFFFAOYSA-N
    • SMILES： ClS(C1=C(C)C=CC(=C1)C(C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 246.04800
  • Monoisotopic Mass: 246.0481286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 311
  • 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: 4
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 42.52000
  • LogP: 4.30080

5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride Security Information

  • Hazard Category Code： 41
  • Safety Instruction： 26-39
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

5-tert-Butyl-2-methylbenzene-1-sulfonyl 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%

5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride Pricemore >>

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A2B Chem LLC
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5-tert-Butyl-2-methylbenzene-1-sulfonyl Chloride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:63452-62-0)5-tert-Butyl-2-methyl-benzenesulfonyl chloride
Order Number:LE8271
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:59
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:63452-62-0)5-tert-Butyl-2-methyl-benzenesulfonyl chloride
LE8271
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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