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CS-W001157 4
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2-Chloro-5-nitrobenzonitrile

  • CAS No. 16588-02-6

  • Cat. No. CS-W017083
  • Molecule weight182.56
  • Purity≥98%
  • MDL No.MFCD00007292

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

2-Chloro-5-nitrobenzonitrile|CS-W017083

Structure of 16588-02-6

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General Information

  • CAS No. 16588-02-6
  • Cat. No. CS-W017083
  • Purity ≥98%
  • MDL No. MFCD00007292
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClN₂O₂
  • Molecular Weight 182.56
  • Synonym(s) None
  • SMILES N#CC1=CC([N+]([O-])=O)=CC=C1Cl

Description

2-Chloro-5-nitrobenzonitrile effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and is an alternative model substrate in GST-research.2-Chloro-5-nitrobenzonitrile was used in online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology.

Synthesis

  • Route1

    References

    • Du, Bingnan; Jiang, Xiaoqing; Sun, Peipei Journal of Organic Chemistry, 2013 , vol. 78, # 6 p. 2786 - 2791
  • Route2

    References

    • Clarke, Kenneth; Fox, William Richard; Scrowston, Richard M. Journal of Chemical Research, Miniprint, 1980 , # 2 p. 833 - 847
  • Route3
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    • ~%
    • In-stock
      2-Chloro-5-nitrobenzonitrile|CS-W017083
      16588-02-6

    References

    • Journal of the American Chemical Society, , vol. 52, p. 4517

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.11988
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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