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CS-W001157 4
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5-Bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride

  • CAS No. 338797-11-8

  • Cat. No. CS-0212399
  • Purity95+%
  • MDL No.MFCD03094671

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

5-Bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride|CS-0212399

Structure of 338797-11-8

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General Information

  • CAS No. 338797-11-8
  • Cat. No. CS-0212399
  • Purity 95+%
  • MDL No. MFCD03094671
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrClO₂S₂
  • Molecular Weight 325.63
  • Synonym(s) 5-Bromo-3-methyl-1-benzothiophene-2-sulfonyl chloride
  • SMILES CC1=C(SC2=C1C=C(C=C2)Br)S(=O)(=O)Cl

Synthesis

  • Route1

    References

    • KANCERA AB; BYSTROeM, Styrbjoern; HEDGECOCK, Charles; HOMAN, Evert; LUNDBAeCK, Thomas; MARTINSSON, Jessica; SARI, Meral; FAeRNEGAaRDH, Katarina; JOeNSSON, Mattias Patent: WO2012/35171 A2, 2012 ; Location in patent: Page/Page column 50 ; WO 2012/035171 A2
  • Route2

    References

    • KANCERA AB; BYSTROeM, Styrbjoern; HEDGECOCK, Charles; HOMAN, Evert; LUNDBAeCK, Thomas; MARTINSSON, Jessica; SARI, Meral; FAeRNEGAaRDH, Katarina; JOeNSSON, Mattias Patent: WO2012/35171 A2, 2012 ; WO 2012/035171 A2
  • Route3
    • 1-((4-Bromophenyl)thio)propan-2-one|CS-0272161
      1200-12-0
    • ~%
    • 5-Bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride|CS-0212399
      338797-11-8

    References

    • KANCERA AB; BYSTROeM, Styrbjoern; HEDGECOCK, Charles; HOMAN, Evert; LUNDBAeCK, Thomas; MARTINSSON, Jessica; SARI, Meral; FAeRNEGAaRDH, Katarina; JOeNSSON, Mattias Patent: WO2012/35171 A2, 2012 ; WO 2012/035171 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.89972
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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