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CS-W001157 4
Total: USD 88.00

3-Hydroxy-4-methylbenzonitrile

  • CAS No. 3816-66-8

  • Cat. No. CS-W018936
  • Purity≥97%
  • MDL No.MFCD08361769

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

3-Hydroxy-4-methylbenzonitrile|CS-W018936

Structure of 3816-66-8

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General Information

  • CAS No. 3816-66-8
  • Cat. No. CS-W018936
  • Purity ≥97%
  • MDL No. MFCD08361769
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 3-Hydroxy-4-methylbenzonitril
  • SMILES C1=C(C=CC(=C1O)C)C#N

Synthesis

  • Route1
    • null|null
      1188374-87-9
    • ~95%
    • In-stock
      3-Hydroxy-4-methylbenzonitrile|CS-W018936
      3816-66-8

    References

    • Forest Laboratories Holdings Limited Patent: US2009/239810 A1, 2009 ; Location in patent: Page/Page column 68 ; US 20090239810 A1
  • Route2

    References

    • Reiner, John E.; Siev, Daniel V.; Araldi, Gian-Luca; Cui, Jingrong Jean; Ho, Jonathan Z.; Reddy, Komandla Malla; Mamedova, Lala; Vu, Phong H.; Lee, Kuen-Shan S.; Minami, Nathaniel K.; Gibson, Tony S.; Anderson, Susanne M.; Bradbury, Annette E.; Nolan, Thomas G.; Semple, J. Edward Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 8 p. 1203 - 1208
  • Route3

    References

    • Kowa Co., Ltd. Patent: US6046212 A1, 2000 ;

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   44.02
  • LogP   1.5723
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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