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CS-W001157 4
Total: USD 88.00

4-(Pentyloxy)benzonitrile

  • CAS No. 120893-63-2

  • Cat. No. CS-0366481
  • Molecule weight189.25
  • Purity≥97%
  • MDL No.None

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

4-(Pentyloxy)benzonitrile|CS-0366481

Structure of 120893-63-2

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General Information

  • CAS No. 120893-63-2
  • Cat. No. CS-0366481
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO
  • Molecular Weight 189.25
  • Synonym(s) 4-PENTYLOXYBENZONITRILE
  • SMILES CCCCCOC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • null|null
      110-53-2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~95%
    • 4-(Pentyloxy)benzonitrile|CS-0366481
      120893-63-2

    References

    • Ferroni; Simoni; Manfredini; Guarneri; Orlandini; Barbieri; Franze; Mugelli Arzneimittel-Forschung, 1995 , vol. 45, # 6 p. 665 - 669
  • Route2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~%
    • 4-(Pentyloxy)benzonitrile|CS-0366481
      120893-63-2

    References

    • Freudenreich, Charles; Samama, Jean-Pierre; Biellmann, Jean-Francois Journal of the American Chemical Society, 1984 , vol. 106, # 11 p. 3344 - 3353

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

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.12728
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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