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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-nitrobenzotrifluoride

  • CAS No. 402-12-0

  • Cat. No. CS-0033211
  • Purity≥97%
  • MDL No.MFCD03840208

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

3-Fluoro-4-nitrobenzotrifluoride|CS-0033211

Structure of 402-12-0

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General Information

  • CAS No. 402-12-0
  • Cat. No. CS-0033211
  • Purity ≥97%
  • MDL No. MFCD03840208
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄NO₂
  • Molecular Weight 209.10
  • Synonym(s) 2-Fluoro-1-nitro-4-(trifluoromethyl)benzene
  • SMILES FC(C1=CC=C(C(F)=C1)[N+]([O-])=O)(F)F

Description

3-Fluoro-4-nitrobenzotrifluoride features a trifluoromethyl group flanked by strategically positioned fluorine and nitro substituents, delivering high electron deficiency for enhanced reactivity in cross-coupling processes. This bench-stable arylating agent integrates readily into complex molecular architectures under standard conditions.

Application

3-Fluoro-4-nitrobenzotrifluoride serves as a versatile electrophilic building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its dual activating trifluoromethyl and nitro groups. The ortho-fluorine facilitates nucleophilic aromatic substitution, while the meta-nitro group enhances reactivity under mild conditions. Its bench-stable nature and compatibility with diverse functional groups make it valuable for constructing complex heterocycles and pharmaceutical intermediates.

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   43.14
  • LogP   2.7527
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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