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CS-W001157 4
Total: USD 88.00

2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

  • CAS No. 93413-76-4

  • Cat. No. CS-0186384
  • Molecule weight245.32
  • Purity≥98%
  • MDL No.None

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

2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile|CS-0186384

Structure of 93413-76-4

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General Information

  • CAS No. 93413-76-4
  • Cat. No. CS-0186384
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO₂
  • Molecular Weight 245.32
  • Synonym(s) 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
  • SMILES COC1=CC=C(C=C1)C(C#N)C2(CCCCC2)O

Synthesis

  • Route1
    • null|null
      108-94-1
    • ~91%
    • 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile|CS-0186384
      93413-76-4

    References

    • UNICHEM LABORATORIES LIMITED Patent: WO2007/94008 A2, 2007 ; Location in patent: Page/Page column 7 ;
  • Route2

    References

    • Mantelingu; Kavitha; Rangappa; Naveen; Sridhar; Prasad, J. Shashidhara Molecular Crystals and Liquid Crystals, 2007 , vol. 469, # 1 p. 121 - 129
  • Route3

    References

    • KANDULA, Mahesh Patent: WO2013/167990 A1, 2013 ; Location in patent: Paragraph 0094; 0095 ;

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   2.99758
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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