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CS-W001157 4
Total: USD 88.00

4-Methoxy-2,5-dimethylbenzonitrile

  • CAS No. 64400-49-3

  • Cat. No. CS-0377843
  • Molecule weight161.20
  • Purity≥97%
  • MDL No.None

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

4-Methoxy-2,5-dimethylbenzonitrile|CS-0377843

Structure of 64400-49-3

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General Information

  • CAS No. 64400-49-3
  • Cat. No. CS-0377843
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) 2,5-DIMETHYL-P-ANISONITRILE
  • SMILES N#CC1=CC(C)=C(OC)C=C1C

Synthesis

  • Route1
    • null|null
      64400-50-6
    • ~90%
    • 4-Methoxy-2,5-dimethylbenzonitrile|CS-0377843
      64400-49-3

    References

    • Gucma, Miroslaw; Golebiewski, W. Marek Synthesis, 2008 , # 13 p. 1997 - 1999
  • 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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.18372
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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