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CS-W001157 4
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2,5-Dihydroxybenzonitrile

  • CAS No. 4640-29-3

  • Cat. No. CS-0131365
  • Molecule weight135.12
  • Purity≥97%
  • MDL No.MFCD00797121

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

2,5-Dihydroxybenzonitrile|CS-0131365

Structure of 4640-29-3

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General Information

  • CAS No. 4640-29-3
  • Cat. No. CS-0131365
  • Purity ≥97%
  • MDL No. MFCD00797121
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂
  • Molecular Weight 135.12
  • Synonym(s) Gentisonitrile
  • SMILES N#CC1=CC(O)=CC=C1O

Synthesis

  • Route1

    References

    • Bergeron, Raymond J.; Wiegand, Jan; McManis, James S.; Bharti, Neelam Journal of Medicinal Chemistry, 2006 , vol. 49, # 24 p. 7032 - 7043
  • Route2
    • null|null
      74-90-8
    • null|null
      106-51-4
    • ~3%
    • null|null
      4733-50-0
    • 2,5-Dihydroxybenzonitrile|CS-0131365
      4640-29-3

    References

    • Perry, Gregory J.; Sutherland, Maurice D. Tetrahedron, 1982 , vol. 38, # 10 p. 1471 - 1476
  • Route3

    References

    • Roemer, A.; Sammet, M. Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983 , vol. 38, # 7 p. 866 - 872

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   64.25
  • LogP   0.96948
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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