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CS-W001157 4
Total: USD 88.00

3-Nitro-4-(trifluoromethyl)phenol

  • CAS No. 25889-36-5

  • Cat. No. CS-W021970
  • Molecule weight207.11
  • Purity≥98%
  • MDL No.MFCD07783660

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

3-Nitro-4-(trifluoromethyl)phenol|CS-W021970

Structure of 25889-36-5

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General Information

  • CAS No. 25889-36-5
  • Cat. No. CS-W021970
  • Purity ≥98%
  • MDL No. MFCD07783660
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight 207.11
  • Synonym(s) phenol, 3-nitro-4-(trifluoromethyl)-
  • SMILES [N+](=O)([O-])C1=C(C=CC(=C1)O)C(F)(F)F

Description

3-Nitro-4-(trifluoromethyl)phenol features a strategically positioned nitro group and trifluoromethyl moiety on the phenolic ring, imparting strong electron-withdrawing character and enhanced stability. This combination enables efficient incorporation into advanced synthetic intermediates for pharmaceuticals and agrochemicals, particularly in coupling reactions requiring high reactivity and resistance to decomposition under standard conditions.

Application

3-Nitro-4-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of electron-withdrawing nitro and trifluoromethyl groups into aromatic scaffolds. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient functionalization. The phenolic hydroxyl group allows for derivatization via esterification or ether formation, while the ortho-nitro substituent supports selective transformations under reductive or electrophilic conditions.

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   2.3192
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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