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2-Bromo-1-(2,5-dimethylthiophen-3-yl)ethan-1-one

  • CAS No. 122654-17-5

  • Cat. No. CS-0257510
  • Molecule weight233.13
  • Purity≥97%
  • MDL No.None

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

2-Bromo-1-(2,5-dimethylthiophen-3-yl)ethan-1-one|CS-0257510

Structure of 122654-17-5

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General Information

  • CAS No. 122654-17-5
  • Cat. No. CS-0257510
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrOS
  • Molecular Weight 233.13
  • Synonym(s) Ethanone, 2-bromo-1-(2,5-dimethyl-3-thienyl)-
  • SMILES O=C(C1=C(C)SC(C)=C1)CBr

Synthesis

  • Route1

    References

    • Agouron Pharmaceuticals, Inc. Patent: EP1215208 A2, 2002 ; Location in patent: Example C(50) ; EP 1215208 A2
  • Route2

    References

    • Chen, Yi; Zeng, De X.; Xie, Nan; Dang, Yi Z. Journal of Organic Chemistry, 2005 , vol. 70, # 13 p. 5001 - 5005

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.94254
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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