Cas no 82657-74-7 (1-(Bromomethyl)-2-(methylsulfonyl)benzene)

1-(Bromomethyl)-2-(methylsulfonyl)benzene is a versatile brominated aromatic compound featuring both a bromomethyl and a methylsulfonyl functional group. Its reactive bromomethyl moiety makes it a valuable intermediate in organic synthesis, particularly for alkylation and cross-coupling reactions. The electron-withdrawing methylsulfonyl group enhances its utility in electrophilic substitution and nucleophilic displacement reactions. This compound is commonly employed in pharmaceutical and agrochemical research for constructing complex molecular frameworks. Its stability under standard conditions and well-defined reactivity profile ensure consistent performance in synthetic applications. The dual functionality allows for selective modifications, making it a useful building block in medicinal chemistry and material science.
1-(Bromomethyl)-2-(methylsulfonyl)benzene structure
82657-74-7 structure
Product Name:1-(Bromomethyl)-2-(methylsulfonyl)benzene
CAS No:82657-74-7
MF:C8H9BrO2S
MW:249.124860525131
MDL:MFCD11847473
CID:687301
PubChem ID:18922474
Update Time:2025-06-07

1-(Bromomethyl)-2-(methylsulfonyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-(Bromomethyl)-2-(methylsulfonyl)benzene
    • 2-(Methylsulfonyl)benzyl Bromide
    • 1-(bromomethyl)-2-methylsulfonylbenzene
    • Benzene, 1-(bromomethyl)-2-(methylsulfonyl)-
    • C8H9BrO2S
    • 1-(Bromomethyl)-2-(methylsulfonyl)benzene (ACI)
    • Sulfone, α-bromo-o-tolyl methyl (7CI)
    • 1-Bromomethyl-2-methanesulfonylbenzene
    • 2-(Methylsulfonyl)benzylbromide
    • AKOS015888300
    • 1-(Bromomethyl)-2-(methanesulfonyl)benzene
    • 1-(bromomethyl)-2-methylsulfonyl-benzene
    • MFCD11847473
    • 82657-74-7
    • 1-bromomethyl-2-methylsulfonyl-benzene
    • 1-(BROMOMETHYL)-2-METHANESULFONYLBENZENE
    • ZBLBWTFICJOODX-UHFFFAOYSA-N
    • DTXSID30596507
    • BCP33718
    • AS-31605
    • EN300-53919
    • SCHEMBL507714
    • DB-075861
    • 1-(Bromomethyl)-2-(methylsulfonyl)benzene;Benzene, 1-(bromomethyl)-2-(methylsulfonyl)-
    • 1-bromomethyl-2-methanesulfonyl-benzene
    • SY011649
    • MDL： MFCD11847473
    • Inchi： 1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
    • InChI Key： ZBLBWTFICJOODX-UHFFFAOYSA-N
    • SMILES： O=S(C)(C1C(CBr)=CC=CC=1)=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: 2
  • Complexity: 230
  • 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

  • Color/Form: No data avaiable
  • Density: 1.550
  • Melting Point: No data available
  • Boiling Point: 397.1±37.0 °C at 760 mmHg
  • Flash Point: 193.9±26.5 °C
  • PSA: 42.52000
  • LogP: 3.06580
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-(Bromomethyl)-2-(methylsulfonyl)benzene Security Information

1-(Bromomethyl)-2-(methylsulfonyl)benzene 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%

1-(Bromomethyl)-2-(methylsulfonyl)benzene Pricemore >>

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