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CS-W001157 4
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4-Hydroxy-3,5-dimethoxybenzonitrile

  • CAS No. 72684-95-8

  • Cat. No. CS-0071217
  • Purity≥97%
  • MDL No.MFCD09835372

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

4-Hydroxy-3,5-dimethoxybenzonitrile|CS-0071217

Structure of 72684-95-8

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General Information

  • CAS No. 72684-95-8
  • Cat. No. CS-0071217
  • Purity ≥97%
  • MDL No. MFCD09835372
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) 4-Cyano-2,6-dimethoxyphenol
  • SMILES N#CC1=CC(OC)=C(O)C(OC)=C1

Synthesis

  • Route1

    References

    • Rokade, Balaji V.; Prabhu, Kandikere Ramaiah Journal of Organic Chemistry, 2012 , vol. 77, # 12 p. 5364 - 5370
  • Route2

    References

    • Magano, Javier; Chen, Michael H.; Clark, Jerry D.; Nussbaumer, Thomas Journal of Organic Chemistry, 2006 , vol. 71, # 18 p. 7103 - 7105
  • Route3
    • 4-Hydroxy-3,5-dimethoxybenzaldehyde oxime|CS-0510981
      5032-13-3
    • ~89%
    • 4-Hydroxy-3,5-dimethoxybenzonitrile|CS-0071217
      72684-95-8

    References

    • Wang, Eng-Chi; Huang, Keng-Shiang; Chen, Hsing-Ming; Wu, Chung-Chin; Lin, Gwo-Jiun Journal of the Chinese Chemical Society, 2004 , vol. 51, # 3 p. 619 - 627

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   62.48
  • LogP   1.28108
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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