Cas no 99768-21-5 (4-Bromo-1-methanesulfonyl-2-methylbenzene)

4-Bromo-1-methanesulfonyl-2-methylbenzene structure
99768-21-5 structure
Product Name:4-Bromo-1-methanesulfonyl-2-methylbenzene
CAS No:99768-21-5
MF:C8H9BrO2S
MW:249.124860525131
MDL:MFCD22549347
CID:1032993
PubChem ID:20616765
Update Time:2025-04-20

4-Bromo-1-methanesulfonyl-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-methyl-1-(methylsulfonyl)benzene
    • 4-BroMo-1-Methanesulfonyl-2-Methylbenzene
    • 4-bromo-2-methyl-1-methylsulfonylbenzene
    • LNVYXKNXYRIPOR-UHFFFAOYSA-N
    • 99768-21-5
    • 4-Bromo-1-(methanesulfonyl)-2-methylbenzene
    • AKOS016010842
    • MFCD22549347
    • SCHEMBL2333956
    • SY025177
    • A858429
    • ZDA76821
    • DTXSID50609103
    • AC7498
    • CS-0212281
    • DB-123348
    • 4-Bromo-2-methyl-1-(methylsulfonyl)benzene; 4-Bromo-o-tolyl Methylsulfone
    • 4-Bromo-1-methanesulfonyl-2-methylbenzene
    • MDL: MFCD22549347
    • Inchi: 1S/C8H9BrO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3
    • InChI Key: LNVYXKNXYRIPOR-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C)C=1)S(C)(=O)=O

Computed Properties

  • Exact Mass: 247.95100
  • Monoisotopic Mass: 247.95066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 242
  • 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: 1.7
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 42.52000
  • LogP: 3.24180

4-Bromo-1-methanesulfonyl-2-methylbenzene 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-Bromo-1-methanesulfonyl-2-methylbenzene Pricemore >>

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