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CS-W001157 4
Total: USD 88.00

2-Nitro-4-(trifluoromethyl)benzonitrile

  • CAS No. 778-94-9

  • Cat. No. CS-W014864
  • Purity≥98%
  • MDL No.MFCD00014684

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

2-Nitro-4-(trifluoromethyl)benzonitrile|CS-W014864

Structure of 778-94-9

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General Information

  • CAS No. 778-94-9
  • Cat. No. CS-W014864
  • Purity ≥98%
  • MDL No. MFCD00014684
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃F₃N₂O₂
  • Molecular Weight 216.12
  • Synonym(s) 2-Nitro-4-fluoromethylbenzonitrile
  • SMILES N#CC1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

Description

2-Nitro-4-(trifluoromethyl)benzonitrile was used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.

Synthesis

  • Route1
    • null|null
      544-92-3
    • null|null
      121-17-5
    • ~98%
    • In-stock
      2-Nitro-4-(trifluoromethyl)benzonitrile|CS-W014864
      778-94-9

    References

    • Bayer CropScience S.A. Patent: US6635780 B1, 2003 ; Location in patent: Page/Page column 9 ;
  • Route2
    • null|null
      151-50-8
    • null|null
      121-17-5
    • ~64%
    • In-stock
      2-Nitro-4-(trifluoromethyl)benzonitrile|CS-W014864
      778-94-9

    References

    • Bayer CropScience S.A. Patent: US6635780 B1, 2003 ; Location in patent: Page/Page column 8 ;
  • Route3
    • In-stock
      4-Bromo-3-nitrobenzotrifluoride|CS-0031434
      349-03-1
    • null|null
      544-92-3
    • null|null
      151-50-8
    • ~90%
    • In-stock
      2-Nitro-4-(trifluoromethyl)benzonitrile|CS-W014864
      778-94-9

    References

    • Bayer CropScience S.A. Patent: US6635780 B1, 2003 ; Location in patent: Page/Page column 10 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.48528
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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