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CS-W001157 4
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3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one

  • CAS No. 848310-98-5

  • Cat. No. CS-0000114
  • Purity≥98%
  • MDL No.None

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

3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one|CS-0000114

Structure of 848310-98-5

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General Information

  • CAS No. 848310-98-5
  • Cat. No. CS-0000114
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄BrClO
  • Molecular Weight 337.64
  • Synonym(s) 2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)
  • SMILES O=C(C)C(CC1=CC=C(Cl)C=C1)C2=CC(Br)=CC=C2

Synthesis

  • Route1
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      676-58-4
    • ~%
    • 3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one|CS-0000114
      848310-98-5

    References

    • MERCK and CO., INC. Patent: WO2007/136607 A2, 2007 ; Location in patent: Page/Page column 57 ; WO 2007/136607 A2
  • Route2
    • null|null
      1204241-05-3
    • null|null
      676-58-4
    • ~%
    • 3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one|CS-0000114
      848310-98-5

    References

    • MERCK and CO., INC. Patent: WO2005/9479 A1, 2005 ; Location in patent: Page/Page column 32 ; WO 2005/009479 A1
  • Route3

    References

    • Lin, Linus S.; Lanza Jr., Thomas J.; Jewell, James P.; Liu, Fing; Shah, Shrenik K.; Qi, Hongbo; Tong, Xinchun; Wang, Junying; Xu, Suoyu S.; Fong, Tung M.; Shen, Chun-Pyn; Lao, Julie; Xiao, Jing Chen; Shearman, Lauren P.; Stribling, D. Sloan; Rosko, Kimberly; Strack, Alison; Marsh, Donald J.; Feng, Yue; Kumar, Sanjeev; Samuel, Koppara; Yin, Wenji; Van Der Ploeg, Lex H. T.; Goulet, Mark T.; Hagmann, William K. Journal of Medicinal Chemistry, 2006 , vol. 49, # 26 p. 7584 - 7587

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   5.0178
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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