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CS-W001157 4
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4-Chloro-3-methoxybenzonitrile

  • CAS No. 189628-40-8

  • Cat. No. CS-0194516
  • Purity≥98%
  • MDL No.None

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

4-Chloro-3-methoxybenzonitrile|CS-0194516

Structure of 189628-40-8

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General Information

  • CAS No. 189628-40-8
  • Cat. No. CS-0194516
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO
  • Molecular Weight 167.59
  • Synonym(s) 3-methoxy-4-chlorobenzonitrile
  • SMILES COC1=C(C=CC(=C1)C#N)Cl

Synthesis

  • Route1
    • In-stock
      5-Bromo-2-chloroanisole|CS-W013132
      16817-43-9
    • null|null
      544-92-3
    • ~55%
    • In-stock
      4-Chloro-3-methoxybenzonitrile|CS-0194516
      189628-40-8

    References

    • Khanna, Ish K.; Weier, Richard M.; Yu, Yi; Xu, Xiang D.; Koszyk, Francis J.; Collins, Paul W.; Koboldt, Carol M.; Veenhuizen, Amy W.; Perkins, William E.; Casier, Jacquelen J.; Masferrer, Jaime L.; Zhang, Yan Y.; Gregory, Susan A.; Seibert, Karen; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1634 - 1647

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.22028
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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