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2-Bromo-1-(5-chloro-2-methoxyphenyl)ethan-1-one

  • CAS No. 111841-05-5

  • Cat. No. CS-0100837
  • Molecule weight263.52
  • Purity≥95%
  • MDL No.MFCD01793848

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

2-Bromo-1-(5-chloro-2-methoxyphenyl)ethan-1-one|CS-0100837

Structure of 111841-05-5

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General Information

  • CAS No. 111841-05-5
  • Cat. No. CS-0100837
  • Purity ≥95%
  • MDL No. MFCD01793848
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrClO₂
  • Molecular Weight 263.52
  • Synonym(s) 2-BROMO-1-(5-CHLORO-2-METHOXY-PHENYL)-ETHANONE
  • SMILES COC1=CC=C(Cl)C=C1C(CBr)=O

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/19184 A1, 2005 ; Location in patent: Page/Page column 74 ; WO 2005/019184 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9262
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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