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CS-W001157 4
Total: USD 88.00

1,3,5-Trifluoro-2-nitrobenzene

  • CAS No. 315-14-0

  • Cat. No. CS-W020685
  • Purity≥98%
  • MDL No.MFCD00014687

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

1,3,5-Trifluoro-2-nitrobenzene|CS-W020685

Structure of 315-14-0

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General Information

  • CAS No. 315-14-0
  • Cat. No. CS-W020685
  • Purity ≥98%
  • MDL No. MFCD00014687
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂F₃NO₂
  • Molecular Weight 177.08
  • Synonym(s) 2,4,6-Trifluoro-1-nitrobenzene; 2,4,6-Trifluoronitrobenzene; 2,2,6-TRIFLUORONITROBENZENE
  • SMILES O=[N+](C1=C(F)C=C(F)C=C1F)[O-]

Description

2,4,6-Trifluoronitrobenzene has been used in preparation of 4-methoxy-2,6-difluoroanilines, versatile building blocks in medicinal chemistry.

Application

1,3,5-Trifluoro-2-nitrobenzene serves as a versatile electrophilic building block in synthetic chemistry, enabling efficient construction of fluorinated heterocycles and aromatic scaffolds. Its trifluoromethyl-substituted core enhances metabolic stability and modulates electronic properties, while the ortho-nitro group facilitates subsequent transformations via reduction or nucleophilic displacement. The compound exhibits excellent bench stability and compatibility with standard reaction conditions, simplifying purification and integration into multi-step syntheses.

Synthesis

  • Route1
    • null|null
      372-38-3
    • ~86%
    • In-stock
      1,3,5-Trifluoro-2-nitrobenzene|CS-W020685
      315-14-0

    References

    • Barnard; Storr; O'Neill; Park Journal of Pharmacy and Pharmacology, 1993 , vol. 45, # 8 p. 736 - 744
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 73, p. 153 Journal of the American Chemical Society, , vol. 81, p. 94,98
  • Route3
    • 2,4-Difluoro-6-nitroaniline|CS-0146875
      364-30-7
    • ~%
    • In-stock
      1,3,5-Trifluoro-2-nitrobenzene|CS-W020685
      315-14-0

    References

    • Journal of the American Chemical Society, , vol. 73, p. 153 Journal of the American Chemical Society, , vol. 81, p. 94,98

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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