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CS-W001157 4
Total: USD 88.00

2-Bromo-1-[4-(methylsulfanyl)phenyl]ethan-1-one

  • CAS No. 42445-46-5

  • Cat. No. CS-0121784
  • Purity≥98%
  • MDL No.MFCD03094708

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

2-Bromo-1-[4-(methylsulfanyl)phenyl]ethan-1-one|CS-0121784

Structure of 42445-46-5

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General Information

  • CAS No. 42445-46-5
  • Cat. No. CS-0121784
  • Purity ≥98%
  • MDL No. MFCD03094708
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrOS
  • Molecular Weight None
  • Synonym(s) 4-METHYLTHIO-2-BROMOACETOPHENONE
  • SMILES O=C(C1=CC=C(SC)C=C1)CBr

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2006/66197 A1, 2006 ; Location in patent: Page/Page column 174 ; WO 2006/066197 A1
  • Route2

    References

    • Cutler et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 5475,5478
  • Route3

    References

    • Tsuruoka, Akihiko; Kaku, Yumiko; Kakinuma, Hiroyuki; Tsukada, Itaru; Yanagisawa, Manabu; Nara, Kazumasa; Naito, Toshihiko Chemical and Pharmaceutical Bulletin, 1998 , vol. 46, # 4 p. 623 - 630

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.9861
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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