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CS-W001157 4
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2-Iodo-5-nitrobenzonitrile

  • CAS No. 101421-15-2

  • Cat. No. CS-0131350
  • Molecule weight274.02
  • Purity≥96%
  • MDL No.None

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

2-Iodo-5-nitrobenzonitrile|CS-0131350

Structure of 101421-15-2

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General Information

  • CAS No. 101421-15-2
  • Cat. No. CS-0131350
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃IN₂O₂
  • Molecular Weight 274.02
  • Synonym(s) 1-CYANO-2-IODO-5-NITROBENZENE
  • SMILES N#CC1=CC([N+]([O-])=O)=CC=C1I

Description

2-Iodo-5-nitrobenzonitrile features a nitro group and nitrile moiety flanking an iodine atom on a benzene ring, enabling direct coupling in cross-coupling reactions. This electron-deficient aryl iodide integrates readily into complex scaffolds under standard conditions.

Application

2-Iodo-5-nitrobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling efficient construction of biaryl and heteroaryl scaffolds under Pd-catalyzed conditions. The iodide group facilitates reliable C–C bond formation, while the nitro and nitrile functionalities provide orthogonal reactivity for downstream transformations. Its stability under standard reaction conditions and compatibility with diverse coupling partners make it well-suited for medicinal chemistry and materials synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.07108
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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