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CS-W001157 4
Total: USD 88.00

Methyl 3-bromo-4-ethylbenzoate

  • CAS No. 113642-05-0

  • Cat. No. CS-0325210
  • Molecule weight243.10
  • Purity95+%
  • MDL No.None

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

Methyl 3-bromo-4-ethylbenzoate|CS-0325210

Structure of 113642-05-0

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General Information

  • CAS No. 113642-05-0
  • Cat. No. CS-0325210
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO₂
  • Molecular Weight 243.10
  • Synonym(s) None
  • SMILES CCC1=C(C=C(C=C1)C(=O)OC)Br

Synthesis

  • Route1

    References

    • Joyeau, Roger; Yadav, Lal D. S.; Wakselman, Michel Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987 , p. 1899 - 1908
  • Route2

    References

    • Schulte, Birte; Froehlich, Roland; Studer, Armido Tetrahedron, 2008 , vol. 64, # 52 p. 11852 - 11859
  • Route3

    References

    • Burgeson, James R.; Moore, Amy L.; Gharaibeh, Dima N.; Larson, Ryan A.; Cerruti, Natasha R.; Amberg, Sean M.; Hruby, Dennis E.; Dai, Dongcheng Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 3 p. 750 - 756

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7981
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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