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CS-W001157 4
Total: USD 88.00

1-(3-Bromopropyl)-3-chlorobenzene

  • CAS No. 91085-89-1

  • Cat. No. CS-0211765
  • Purity≥98%
  • MDL No.MFCD09744367

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

1-(3-Bromopropyl)-3-chlorobenzene|CS-0211765

Structure of 91085-89-1

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General Information

  • CAS No. 91085-89-1
  • Cat. No. CS-0211765
  • Purity ≥98%
  • MDL No. MFCD09744367
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀BrCl
  • Molecular Weight 233.53
  • Synonym(s) None
  • SMILES C1=CC(=CC(=C1)Cl)CCCBr

Synthesis

  • Route1
    • 3-(3-Chlorophenyl)propan-1-ol|CS-0212562
      22991-03-3
    • null|null
      106-95-6
    • null|null
      530-62-1
    • ~84%
    • 1-(3-Bromopropyl)-3-chlorobenzene|CS-0211765
      91085-89-1

    References

    • Pfizer Inc. Patent: US6288120 B1, 2001 ;
  • Route2
    • 3-(3-Chlorophenyl)propan-1-ol|CS-0212562
      22991-03-3
    • ~%
    • 1-(3-Bromopropyl)-3-chlorobenzene|CS-0211765
      91085-89-1

    References

    • Koenig; Huisgen Chemische Berichte, 1959 , vol. 92, p. 429,435
  • Route3
    • Methyl 3-(3-chlorophenyl)acrylate|CS-0369107
      42175-03-1
    • ~%
    • 1-(3-Bromopropyl)-3-chlorobenzene|CS-0211765
      91085-89-1

    References

    • Hamilton, Gregory S.; Wu, Yong-Qian; Limburg, David C.; Wilkinson, Douglas E.; Vaal, Mark J.; Li, Jia-He; Thomas, Christine; Huang, Wei; Sauer, Hansjorg; Ross, Douglas T.; Soni, Raj; Chen, Yi; Guo, Hongshi; Howorth, Pamela; Valentine, Heather; Liang, Shi; Spicer, Dawn; Fuller, Mike; Steiner, Joseph P. Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3549 - 3557

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   0
  • LogP   3.6675
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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