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CS-W001157 4
Total: USD 88.00

1-Fluoro-2-iodo-4-nitrobenzene

  • CAS No. 177363-10-9

  • Cat. No. CS-0041294
  • Purity≥97%
  • MDL No.MFCD08461002

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

1-Fluoro-2-iodo-4-nitrobenzene|CS-0041294

Structure of 177363-10-9

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General Information

  • CAS No. 177363-10-9
  • Cat. No. CS-0041294
  • Purity ≥97%
  • MDL No. MFCD08461002
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃FINO₂
  • Molecular Weight 267.00
  • Synonym(s) None
  • SMILES O=[N+](C1=CC=C(F)C(I)=C1)[O-]

Description

1-Fluoro-2-iodo-4-nitrobenzene features a trifunctional aryl scaffold with orthogonal reactivity, enabling sequential cross-coupling processes. The fluorine atom facilitates palladium-catalyzed substitutions, while the iodine group serves as a high-efficiency coupling handle. The para-nitro substituent enhances electrophilicity and provides synthetic leverage for downstream functionalization. This compound offers predictable regioselectivity in transition metal-mediated transformations under standard conditions.

Application

1-Fluoro-2-iodo-4-nitrobenzene serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of substituted aryl scaffolds. The ortho-iodo and fluoro groups provide complementary sites for sequential functionalization, while the electron-withdrawing nitro group enhances reactivity in palladium-catalyzed couplings. Its bench-stable nature and high functional group tolerance make it ideal for multi-step synthesis in medicinal chemistry and materials science applications.

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   43.14
  • LogP   2.3385
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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