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CS-W001157 4
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3-Nitro-5-(trifluoromethyl)benzaldehyde

  • CAS No. 284047-98-9

  • Cat. No. CS-W021971
  • Purity≥95%
  • MDL No.None

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

3-Nitro-5-(trifluoromethyl)benzaldehyde|CS-W021971

Structure of 284047-98-9

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General Information

  • CAS No. 284047-98-9
  • Cat. No. CS-W021971
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₃
  • Molecular Weight 219.12
  • Synonym(s) None
  • SMILES O=CC1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1

Description

3-Nitro-5-(trifluoromethyl)benzaldehyde features a strongly electron-deficient aromatic ring bearing both nitro and trifluoromethyl groups, enabling efficient coupling in cross-coupling reactions. The aldehyde functionality provides a direct handle for nucleophilic addition or condensation chemistry, offering high reactivity under standard conditions. This compound serves as a valuable building block in pharmaceutical and agrochemical synthesis.

Application

3-Nitro-5-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles and functionalized aromatic systems. Its electron-deficient aromatic core enhances reactivity in nucleophilic addition and condensation reactions, while the trifluoromethyl group imparts metabolic stability and modulates lipophilicity. Bench-stable and compatible with standard purification protocols, it facilitates scalable synthesis of complex scaffolds.

Synthesis

  • Route1

    References

    • Campbell, Robert F.; Fitzpatrick, Kevin; Inghardt, Tord; Karlsson, Olle; Nilsson, Kristina; Reilly, John E.; Yet, Larry Tetrahedron Letters, 2003 , vol. 44, # 29 p. 5477 - 5481

Safety Information

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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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.4261
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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