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CS-W001157 4
Total: USD 88.00

4-(3-Bromophenyl)butan-2-one

  • CAS No. 3506-70-5

  • Cat. No. CS-0314871
  • Molecule weight227.10
  • Purity≥97%
  • MDL No.None

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

4-(3-Bromophenyl)butan-2-one|CS-0314871

Structure of 3506-70-5

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General Information

  • CAS No. 3506-70-5
  • Cat. No. CS-0314871
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO
  • Molecular Weight 227.10
  • Synonym(s) NSC 91719
  • SMILES CC(=O)CCC1=CC(=CC=C1)Br

Synthesis

  • Route1
    • null|null
      123-54-6
    • null|null
      932-77-4
    • ~66%
    • 4-(3-Bromophenyl)butan-2-one|CS-0314871
      3506-70-5

    References

    • Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center; Jones, Philip; DiFrancesco, Maria Emilia; Petrocchi, Alessia; Marszalek, Joe; Liu, Gang Patent: US2014/57914 A1, 2014 ; Location in patent: Paragraph 0375-0376 ;
  • Route2

    References

    • ASTRAZENECA AB; ASTEX THERAPEUTICS LTD Patent: WO2007/114771 A1, 2007 ; Location in patent: Page/Page column 25 ; WO 2007/114771 A1
  • Route3
    • 3-(3-Bromophenyl)-N-methoxy-N-methylpropanamide|CS-0458783
      937375-28-5
    • null|null
      75-16-1
    • ~94%
    • 4-(3-Bromophenyl)butan-2-one|CS-0314871
      3506-70-5

    References

    • ASTRAZENECA AB; ASTEX THERAPEUTICS LTD Patent: WO2007/58601 A1, 2007 ; Location in patent: Page/Page column 80 ; WO 2007/058601 A1

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.9707
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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