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CS-W001157 4
Total: USD 88.00

1-Bromo-2-isocyanatobenzene

  • CAS No. 1592-00-3

  • Cat. No. CS-0621790
  • Purity≥97%
  • MDL No.None

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

1-Bromo-2-isocyanatobenzene|CS-0621790

Structure of 1592-00-3

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General Information

  • CAS No. 1592-00-3
  • Cat. No. CS-0621790
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO
  • Molecular Weight 198.02
  • Synonym(s) None
  • SMILES C1=CC=C(C(=C1)N=C=O)Br

Description

1-Bromo-2-isocyanatobenzene features a bromine atom ortho to a highly reactive isocyanate group, enabling seamless integration into coupling and conjugation workflows. This bifunctional scaffold supports efficient derivatization in synthetic organic chemistry and materials science, where dual functional handles streamline molecular assembly under standard conditions.

Application

1-Bromo-2-isocyanatobenzene serves as a versatile bifunctional building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized aromatic systems. The bromine moiety facilitates palladium-catalyzed cross-coupling reactions, while the isocyanato group undergoes selective reaction with nucleophiles to form ureas or carbamates. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for modular synthesis workflows in medicinal chemistry and materials science.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2206
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H334-H335
Precautionary Statements : P261-P264-P270-P271-P280-P285-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   N/A
  • LogP   N/A
  • H_Acceptors   N/A
  • H_Donors   N/A
  • Rotatable_Bonds   N/A

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