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CS-W001157 4
Total: USD 88.00

4-Isopropoxybenzonitrile

  • CAS No. 91949-95-0

  • Cat. No. CS-0102069
  • Purity≥97%
  • MDL No.MFCD09929011

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

4-Isopropoxybenzonitrile|CS-0102069

Structure of 91949-95-0

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General Information

  • CAS No. 91949-95-0
  • Cat. No. CS-0102069
  • Purity ≥97%
  • MDL No. MFCD09929011
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) 4-Isopropyloxy-benzonitril
  • SMILES N#CC1=CC=C(C=C1)OC(C)C

Synthesis

  • Route1
    • null|null
      75-30-9
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~%
    • In-stock
      4-Isopropoxybenzonitrile|CS-0102069
      91949-95-0

    References

    • Cox, Paul J.; Majid, Tahir N.; Lai, Justine Y.Q.; Morley, Andrew D.; Amendola, Shelley; Deprets, Stephanie D.; Edlin, Christopher Patent: US2004/9983 A1, 2004 ; Location in patent: Page/Page column 117 ;
  • Route2
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • null|null
      75-26-3
    • ~93%
    • In-stock
      4-Isopropoxybenzonitrile|CS-0102069
      91949-95-0

    References

    • Reynaud, Pierre; Brion, Jean-Daniel; Nguyen-Tri-Xuong, Emmanuel; Davrinche, Catherine; Pieri, Francois; Arnold-Guerin, Marie-Luce European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 427 - 434
  • Route3
    • null|null
      1194-02-1
    • null|null
      67-63-0
    • ~%
    • In-stock
      4-Isopropoxybenzonitrile|CS-0102069
      91949-95-0

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1270577 A1, 2003 ;

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   33.02
  • LogP   2.34548
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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