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CS-W001157 4
Total: USD 88.00

4-(Hexyloxy)benzonitrile

  • CAS No. 66052-06-0

  • Cat. No. CS-0366441
  • Purity≥97%
  • MDL No.None

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

4-(Hexyloxy)benzonitrile|CS-0366441

Structure of 66052-06-0

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General Information

  • CAS No. 66052-06-0
  • Cat. No. CS-0366441
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO
  • Molecular Weight 203.28
  • Synonym(s) 4-n-Hexyloxybenzonitrile
  • SMILES CCCCCCOC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • null|null
      111-25-1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~99%
    • 4-(Hexyloxy)benzonitrile|CS-0366441
      66052-06-0

    References

    • Lloyd, John; Rovnyak, George C.; Stein, Philip D.; Ahmad, Saleem; Atwal, Karnail S.; Caulfield, Thomas J.; Poss, Michael A. Patent: US2002/137968 A1, 2002 ;
  • Route2
    • null|null
      1179499-89-8
    • ~%
    • 4-(Hexyloxy)benzonitrile|CS-0366441
      66052-06-0

    References

    • Dang, Hester; Cox, Nick; Lalic, Gojko Angewandte Chemie - International Edition, 2014 , vol. 53, # 3 p. 752 - 756 Angew. Chem., 2014 , vol. 126, # 3 p. 771 - 775,5
  • Route3
    • null|null
      3328-57-2
    • ~%
    • 4-(Hexyloxy)benzonitrile|CS-0366441
      66052-06-0

    References

    • Partridge Journal of the Chemical Society, 1949 , p. 3043,3046

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.51738
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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