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CS-W001157 4
Total: USD 88.00

2-AMINO-3-IODOBENZONITRILE

  • CAS No. 114344-67-1

  • Cat. No. CS-0062064
  • Purity≥95%
  • MDL No.None

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

2-AMINO-3-IODOBENZONITRILE|CS-0062064

Structure of 114344-67-1

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General Information

  • CAS No. 114344-67-1
  • Cat. No. CS-0062064
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅IN₂
  • Molecular Weight 244.03
  • Synonym(s) ZEHZEHAGUWIUQV-UHFFFAOYSA-N
  • SMILES IC1=CC=CC(C#N)=C1N

Description

2-Amino-3-iodobenzonitrile features a dual functional group architecture with an electron-rich amino moiety and a reactive iodine handle. This combination enables direct coupling in cross-coupling reactions, while the nitrile group provides synthetic versatility for downstream transformations. The compound exhibits bench-stable handling characteristics under standard conditions.

Application

2-Amino-3-iodobenzonitrile serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The iodine moiety facilitates palladium-catalyzed coupling with broad functional group tolerance, while the amino and nitrile groups provide sites for further derivatization. Bench-stable and readily purified by recrystallization, it functions reliably in medicinal chemistry and materials synthesis workflows.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.74508
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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