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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(trifluoromethoxy)benzonitrile

  • CAS No. 874482-94-7

  • Cat. No. CS-0457646
  • Molecule weight221.56
  • Purity≥98%
  • MDL No.None

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

2-Chloro-4-(trifluoromethoxy)benzonitrile|CS-0457646

Structure of 874482-94-7

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General Information

  • CAS No. 874482-94-7
  • Cat. No. CS-0457646
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃ClF₃NO
  • Molecular Weight 221.56
  • Synonym(s) Benzonitrile,2-chloro-4-(trifluoromethoxy)
  • SMILES N#CC1=CC=C(OC(F)(F)F)C=C1Cl

Synthesis

  • Route1
    • null|null
      653578-64-4
    • null|null
      557-21-1
    • ~42%
    • 2-Chloro-4-(trifluoromethoxy)benzonitrile|CS-0457646
      874482-94-7

    References

    • Fuerstner, Chantal; Thede, Kai; Zimmermann, Holger; Brueckner, David; Henninger, Kerstin; Lang, Dieter; Schohe-Loop, Rudolf Patent: US2009/181996 A1, 2009 ; Location in patent: Page/Page column 10 ; US 20090181996 A1
  • Route2

    References

    • ONO Pharmaceutical Co., Ltd. Patent: EP2154139 A1, 2010 ; Location in patent: Page/Page column 29 ; EP 2154139 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.11028
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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