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CS-W001157 4
Total: USD 88.00

4-Bromo-3-(hydroxymethyl)benzonitrile

  • CAS No. 905710-66-9

  • Cat. No. CS-0157142
  • Purity≥98%
  • MDL No.None

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

4-Bromo-3-(hydroxymethyl)benzonitrile|CS-0157142

Structure of 905710-66-9

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General Information

  • CAS No. 905710-66-9
  • Cat. No. CS-0157142
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO
  • Molecular Weight 212.04
  • Synonym(s) 4-BROMO-3-HYDROXYMETHYL-BENZONITRILE
  • SMILES C1=CC(=C(C=C1C#N)CO)Br

Synthesis

  • Route1

    References

    • Anacor Pharmaceuticals Patent: US2007/265226 A1, 2007 ; Location in patent: Page/Page column 58-59 ;
  • Route2
    • 2-Bromo-5-cyanobenzyl acetate|CS-1644390
      254744-14-4
    • ~%
    • In-stock
      4-Bromo-3-(hydroxymethyl)benzonitrile|CS-0157142
      905710-66-9

    References

    • Baker, Stephen J.; Zhang, Yong-Kang; Akama, Tsutomu; Lau, Agnes; Zhou, Huchen; Hernandez, Vincent; Mao, Weimin; Alley; Sanders, Virginia; Plattner, Jacob J. Journal of Medicinal Chemistry, 2006 , vol. 49, # 15 p. 4447 - 4450
  • Route3

    References

    • Baker, Stephen J.; Zhang, Yong-Kang; Akama, Tsutomu; Lau, Agnes; Zhou, Huchen; Hernandez, Vincent; Mao, Weimin; Alley; Sanders, Virginia; Plattner, Jacob J. Journal of Medicinal Chemistry, 2006 , vol. 49, # 15 p. 4447 - 4450

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   1.81308
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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