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CS-W001157 4
Total: USD 88.00

5-Nitro-2-fluorotoluene

  • CAS No. 455-88-9

  • Cat. No. CS-W020035
  • Purity≥98%
  • MDL No.MFCD00007284

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

5-Nitro-2-fluorotoluene|CS-W020035

Structure of 455-88-9

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General Information

  • CAS No. 455-88-9
  • Cat. No. CS-W020035
  • Purity ≥98%
  • MDL No. MFCD00007284
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂
  • Molecular Weight 155.13
  • Synonym(s) 2-Fluoro-5-nitrotoluene
  • SMILES O=[N+](C1=CC=C(F)C(C)=C1)[O-]

Description

5-Nitro-2-fluorotoluene features a fluorine atom ortho to the methyl group and a nitro group para to it, creating a uniquely activated aromatic system. This electronic asymmetry enables selective coupling reactions in pharmaceutical synthesis. The molecule exhibits enhanced reactivity in palladium-catalyzed cross-coupling processes due to the combined electron-withdrawing effects of the nitro and fluoro substituents. Its bench-stable nature supports reliable handling under standard conditions.

Application

5-Nitro-2-fluorotoluene serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the electron-deficient aromatic ring. Its ortho-fluoro and meta-nitro substituents provide complementary reactivity for palladium-catalyzed cross-coupling and site-selective transformations. The compound exhibits excellent bench stability and facilitates efficient synthesis of heterocyclic scaffolds and fluorinated API intermediates through established synthetic protocols.

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.04232
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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