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CS-W001157 4
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5-Bromo-2,3-dimethoxybenzonitrile

  • CAS No. 164670-73-9

  • Cat. No. CS-0342470
  • Purity≥97%
  • MDL No.None

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

5-Bromo-2,3-dimethoxybenzonitrile|CS-0342470

Structure of 164670-73-9

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General Information

  • CAS No. 164670-73-9
  • Cat. No. CS-0342470
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₂
  • Molecular Weight 242.07
  • Synonym(s) 5-BROMO-2,3-DIMETHOXY-BENZONITRILE
  • SMILES COC1=C(C(=CC(=C1)Br)C#N)OC

Synthesis

  • Route1

    References

    • Thurkauf, Andrew; Hutchison, Alan; Peterson, John; Cornfield, Linda; Meade, Robin; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 12 p. 2251 - 2255
  • Route2

    References

    • Huang, Yunsheng; Luedtke, Robert R.; Freeman, Rebekah A.; Wu, Li; Mach, Robert H. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 12 p. 3113 - 3122
  • Route3

    References

    • Huang, Yunsheng; Luedtke, Robert R.; Freeman, Rebekah A.; Wu, Li; Mach, Robert H. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 12 p. 3113 - 3122

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   42.25
  • LogP   2.33798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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