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CS-W001157 4
Total: USD 88.00

2-Amino-5-(2-bromoacetyl)benzonitrile

  • CAS No. 88167-50-4

  • Cat. No. CS-0572945
  • Purity≥98%
  • MDL No.None

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

2-Amino-5-(2-bromoacetyl)benzonitrile|CS-0572945

Structure of 88167-50-4

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General Information

  • CAS No. 88167-50-4
  • Cat. No. CS-0572945
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrN₂O
  • Molecular Weight 239.07
  • Synonym(s) None
  • SMILES C1=CC(=C(C=C1C(=O)CBr)C#N)N

Synthesis

  • Route1

    References

    • Shenyang Pharmaceutical University; Jinzhou Jiutai Pharmaceutical Co., Ltd. China Patent: EP1439164 A1, 2004 ; Location in patent: Page 5 ;
  • Route2

    References

    • Asato, Goro; Baker, Pamela K.; Bass, Roy T.; Bentley, T. James; Chari, Sarangan; et al. Agricultural and Biological Chemistry, 1984 , vol. 48, # 11 p. 2883 - 2888
  • Route3
    • 1-(4-Aminophenyl)ethanone Clenbuterol Impurity|CS-0229065
      99-92-3
    • ~%
    • 2-Amino-5-(2-bromoacetyl)benzonitrile|CS-0572945
      88167-50-4

    References

    • Asato, Goro; Baker, Pamela K.; Bass, Roy T.; Bentley, T. James; Chari, Sarangan; et al. Agricultural and Biological Chemistry, 1984 , vol. 48, # 11 p. 2883 - 2888

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.88
  • LogP   1.71808
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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