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CS-W001157 4
Total: USD 88.00

1-Bromo-3-butylbenzene

  • CAS No. 54887-20-6

  • Cat. No. CS-0363927
  • Purity95+%
  • MDL No.None

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

1-Bromo-3-butylbenzene|CS-0363927

Structure of 54887-20-6

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General Information

  • CAS No. 54887-20-6
  • Cat. No. CS-0363927
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃Br
  • Molecular Weight 213.11
  • Synonym(s) m-bromobutylbenzene
  • SMILES CCCCC1=CC(=CC=C1)Br

Synthesis

  • Route1
    • null|null
      519051-02-6
    • ~%
    • 1-Bromo-3-butylbenzene|CS-0363927
      54887-20-6

    References

    • Wyeth Patent: US2007/72925 A1, 2007 ; Location in patent: Page/Page column 15; 16 ; US 20070072925 A1
  • Route2

    References

    • JAPAN TOBACCO INC.; MIURA, Tomoya; OGOSHI, Yosuke; UEYAMA, Kazuhito; MOTODA, Dai; IWAYAMA, Toshihiko; SUZAWA, Koichi; NAGAMORI, Hironobu; UENO, Hiroshi; TAKAHASHI, Akihiko; SUGIMOTO, Kazuyuki Patent: US2013/85132 A1, 2013 ; Location in patent: Paragraph 0972; 973; 0974 ;
  • Route3

    References

    • Bolli, Martin H.; Marfurt, Judith; Grisostomi, Corinna; Boss, Christoph; Binkert, Christoph; Hess, Patrick; Treiber, Alexander; Thorin, Eric; Morrison, Keith; Buchmann, Stephan; Bur, Daniel; Ramuz, Henri; Clozel, Martine; Fischli, Walter; Weller, Thomas Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2776 - 2795

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7917
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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