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CS-W001157 4
Total: USD 88.00

1-Bromo-2-methyl-4-propoxybenzene

  • CAS No. 1133116-39-8

  • Cat. No. CS-0193237
  • Purity≥98%
  • MDL No.None

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

1-Bromo-2-methyl-4-propoxybenzene|CS-0193237

Structure of 1133116-39-8

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General Information

  • CAS No. 1133116-39-8
  • Cat. No. CS-0193237
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃BrO
  • Molecular Weight 229.11
  • Synonym(s) None
  • SMILES CCCOC1=CC=C(C(=C1)C)Br

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; FLECK, Martin; HEIMANN, Annekatrin; HEINE, Niklas; NOSSE, Bernd; ROTH, Gerald Juergen Patent: WO2014/56771 A1, 2014 ; Location in patent: Page/Page column 82 ;
  • Route2

    References

    • Bourbeau, Matthew P.; Siegmund, Aaron; Allen, John G.; Shu, Hong; Fotsch, Christopher; Bartberger, Michael D.; Kim, Ki-Won; Komorowski, Renee; Graham, Melissa; Busby, James; Wang, Minghan; Meyer, James; Xu, Yang; Salyers, Kevin; Fielden, Mark; Veniant, Murielle M.; Gu, Wei Journal of Medicinal Chemistry, 2013 , vol. 56, # 24 p. 10132 - 10141

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.54632
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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