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CS-W001157 4
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2-(Bromomethyl)-5-nitrobenzonitrile

  • CAS No. 288252-67-5

  • Cat. No. CS-0696133
  • Molecule weight241.04
  • Purity≥98%
  • MDL No.None

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

2-(Bromomethyl)-5-nitrobenzonitrile|CS-0696133

Structure of 288252-67-5

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General Information

  • CAS No. 288252-67-5
  • Cat. No. CS-0696133
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrN₂O₂
  • Molecular Weight 241.04
  • Synonym(s) None
  • SMILES [O-][N+](=O)C1=CC(C#N)=C(CBr)C=C1

Description

2-(Bromomethyl)-5-nitrobenzonitrile features a bromomethyl group flanked by a nitro and nitrile moiety, enabling selective functionalization in cross-coupling and conjugation reactions. This electron-deficient aryl halide integrates readily into complex molecular architectures under standard conditions.

Application

2-(Bromomethyl)-5-nitrobenzonitrile serves as a versatile bifunctional building block for C–C and C–heteroatom bond formation. The bromomethyl group enables palladium-catalyzed cross-coupling reactions, while the nitro and nitrile functionalities offer orthogonal reactivity for subsequent transformations. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for synthesizing complex heterocyclic scaffolds and functionalized aromatic intermediates in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.36138
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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