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CS-W001157 4
Total: USD 88.00

2-(Bromoacetyl)benzothiazole

  • CAS No. 54223-20-0

  • Cat. No. CS-0207392
  • Molecule weight256.12
  • Purity≥95%
  • MDL No.MFCD03659698

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

2-(Bromoacetyl)benzothiazole|CS-0207392

Structure of 54223-20-0

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General Information

  • CAS No. 54223-20-0
  • Cat. No. CS-0207392
  • Purity ≥95%
  • MDL No. MFCD03659698
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNOS
  • Molecular Weight 256.12
  • Synonym(s) 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone
  • SMILES C1=CC2=C(C=C1)SC(=N2)C(=O)CBr

Synthesis

  • Route1
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • null|null
      96-32-2
    • ~27%
    • 2-(Bromoacetyl)benzothiazole|CS-0207392
      54223-20-0

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/4117 A1, 2008 ; Location in patent: Page/Page column 143 ;
  • Route2

    References

    • Podea, Paula Veronica; Paizs, Csaba; Tosa, Monica Ioana; Irimie, Florin Dan Tetrahedron Asymmetry, 2008 , vol. 19, # 16 p. 1959 - 1964
  • Route3
    • 2-(Trimethylsilyl)benzothiazole|CS-0515005
      32137-73-8
    • null|null
      598-21-0
    • ~%
    • 2-(Bromoacetyl)benzothiazole|CS-0207392
      54223-20-0

    References

    • WO2004/106345 A2, ; Page 50 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.8739
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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