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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 648905-09-3

  • Cat. No. CS-0454552
  • Molecule weight269.54
  • Purity≥98%
  • MDL No.None

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

4-Bromo-2-chloro-1-(methylsulfonyl)benzene|CS-0454552

Structure of 648905-09-3

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General Information

  • CAS No. 648905-09-3
  • Cat. No. CS-0454552
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrClO₂S
  • Molecular Weight 269.54
  • Synonym(s) 4-Bromo-2-chloro-1-methanesulfonylbenzene
  • SMILES C1=CC(=CC(=C1S(C)(=O)=O)Cl)Br

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~49%
    • 4-Bromo-2-chloro-1-(methylsulfonyl)benzene|CS-0454552
      648905-09-3

    References

    • ASTRAZENECA AB Patent: WO2007/40440 A1, 2007 ; Location in patent: Page/Page column 132-133 ; WO 2007/040440 A1
  • Route2
    • 1-Bromo-3-chloro-4-(methylthio)benzene|CS-0150111
      101084-82-6
    • ~31%
    • 4-Bromo-2-chloro-1-(methylsulfonyl)benzene|CS-0454552
      648905-09-3

    References

    • ELI LILLY AND COMPANY Patent: WO2004/9086 A1, 2004 ; Location in patent: Page/Page column 33 ; WO 2004/009086 A1
  • Route3
    • null|null
      1152501-48-8
    • null|null
      74-88-4
    • ~%
    • 4-Bromo-2-chloro-1-(methylsulfonyl)benzene|CS-0454552
      648905-09-3

    References

    • PFIZER INC. Patent: WO2006/18725 A1, 2006 ; Location in patent: Page/Page column 217 ; WO 2006/018725 A1

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.506
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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