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CS-W001157 4
Total: USD 88.00

4-(Difluoromethoxy)benzonitrile

  • CAS No. 90446-25-6

  • Cat. No. CS-0094686
  • Purity≥98%
  • MDL No.MFCD00085006

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

4-(Difluoromethoxy)benzonitrile|CS-0094686

Structure of 90446-25-6

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General Information

  • CAS No. 90446-25-6
  • Cat. No. CS-0094686
  • Purity ≥98%
  • MDL No. MFCD00085006
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂NO
  • Molecular Weight 169.13
  • Synonym(s) 1-Cyano-4-(difluoromethoxy)benzene
  • SMILES N#CC1=CC=C(OC(F)F)C=C1

Synthesis

  • Route1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~%
    • In-stock
      4-(Difluoromethoxy)benzonitrile|CS-0094686
      90446-25-6

    References

    • US4434182 A1, ;
  • Route2
    • null|null
      75-45-6
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~68%
    • In-stock
      4-(Difluoromethoxy)benzonitrile|CS-0094686
      90446-25-6

    References

    • Shelyazhenko, S. V.; Fialkov, Yu. A.; Yagupol'skii, L. M. Journal of Organic Chemistry USSR (English Translation), 1992 , vol. 28, # 8.1 p. 1317 - 1324 Zhurnal Organicheskoi Khimii, 1992 , vol. 28, # 8 p. 1652 - 1660
  • Route3
    • null|null
      75-46-7
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~88%
    • In-stock
      4-(Difluoromethoxy)benzonitrile|CS-0094686
      90446-25-6

    References

    • Thomoson, Charles S.; Dolbier, William R. Journal of Organic Chemistry, 2013 , vol. 78, # 17 p. 8904 - 8908

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.15968
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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