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CS-W001157 4
Total: USD 88.00

3,5-Dichloro-4-methoxybenzonitrile

  • CAS No. 3336-38-7

  • Cat. No. CS-0212889
  • Molecule weight202.04
  • Purity≥96%
  • MDL No.MFCD07774194

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

3,5-Dichloro-4-methoxybenzonitrile|CS-0212889

Structure of 3336-38-7

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General Information

  • CAS No. 3336-38-7
  • Cat. No. CS-0212889
  • Purity ≥96%
  • MDL No. MFCD07774194
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅Cl₂NO
  • Molecular Weight 202.04
  • Synonym(s) None
  • SMILES N#CC1=CC(Cl)=C(OC)C(Cl)=C1

Synthesis

  • Route1

    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
  • Route2

    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
  • Route3

    References

    • de Traz Helvetica Chimica Acta, 1947 , vol. 30, p. 232,236

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.87368
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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