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CS-W001157 4
Total: USD 88.00

1,2,5-Trifluoro-3-nitrobenzene

  • CAS No. 66684-57-9

  • Cat. No. CS-W006827
  • Purity≥98%
  • MDL No.MFCD00456804

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

1,2,5-Trifluoro-3-nitrobenzene|CS-W006827

Structure of 66684-57-9

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General Information

  • CAS No. 66684-57-9
  • Cat. No. CS-W006827
  • Purity ≥98%
  • MDL No. MFCD00456804
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂F₃NO₂
  • Molecular Weight 177.08
  • Synonym(s) 2,3,5-Trifluoronitrobenzene
  • SMILES FC1=CC(F)=C(F)C([N+]([O-])=O)=C1

Synthesis

  • Route1
    • null|null
      617-86-7
    • In-stock
      1,2,3,4-Tetrafluoro-5-nitrobenzene|CS-W010631
      5580-79-0
    • ~66%
    • null|null
      358-43-0
    • In-stock
      1,2,5-Trifluoro-3-nitrobenzene|CS-W006827
      66684-57-9

    References

    • Lv, Hongbin; Zhan, Jin-Hui; Cai, Yuan-Bo; Yu, Yi; Wang, Bingwu; Zhang, Jun-Long Journal of the American Chemical Society, 2012 , vol. 134, # 39 p. 16216 - 16227,12
  • Route2
    • null|null
      367-23-7
    • ~81%
    • In-stock
      1,2,5-Trifluoro-3-nitrobenzene|CS-W006827
      66684-57-9

    References

    • Olah, George A.; Orlinkov, Alexander; Oxyzoglou, Alexandros B.; Prakash, G. k. Surya Journal of Organic Chemistry, 1995 , vol. 60, # 22 p. 7348 - 7350
  • Route3

    References

    • Advanced Synthesis and Catalysis, , vol. 354, # 8 p. 1529 - 1541

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.0121
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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