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CS-W001157 4
Total: USD 88.00

4-Bromo-2-methyl-1-(methylsulfonyl)benzene

  • CAS No. 99768-21-5

  • Cat. No. CS-0212281
  • Molecule weight249.12
  • Purity≥98%
  • MDL No.MFCD22549347

*For research and further manufacturing use only, not for direct human use.

4-Bromo-2-methyl-1-(methylsulfonyl)benzene|CS-0212281

Structure of 99768-21-5

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General Information

  • CAS No. 99768-21-5
  • Cat. No. CS-0212281
  • Purity ≥98%
  • MDL No. MFCD22549347
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrO₂S
  • Molecular Weight 249.12
  • Synonym(s) 4-BroMo-1-Methanesulfonyl-2-Methylbenzene
  • SMILES CC1=CC(=CC=C1S(=O)(=O)C)Br

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; HOFFMANN, Matthias; BISCHOFF, Daniel; DAHMANN, Georg; KLICIC, Jasna; SCHAENZLE, Gerhard; WOLLIN, Stefan Ludwig Michael; CONVERS-REIGNIER, Serge Gaston; EAST, Stephen Peter; MARLIN, Frederic Jacques; McCARTHY, Clive; SCOTT, John Patent: US2013/29949 A1, 2013 ; Location in patent: Paragraph 0181; 0182; 0183 ;
  • Route2

    References

    • Bristol-Myers Squibb Company Patent: US2009/23702 A1, 2009 ; Location in patent: Page/Page column 101 ; US 20090023702 A1
  • Route3
    • 1-Methyl-2-(methylsulfanyl)benzene|CS-0309255
      14092-00-3
    • ~%
    • 4-Bromo-2-methyl-1-(methylsulfonyl)benzene|CS-0212281
      99768-21-5

    References

    • Groebel Chemische Berichte, 1959 , vol. 92, p. 2887,2891

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.16102
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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