Intermediates

3-Nitrophthalonitrile

  • CAS No.51762-67-5
  • GradeIndustrial / Pharmaceutical
  • Availability● In Stock

High-purity 3-Nitrophthalonitrile (CAS 51762-67-5), a critical intermediate for synthesizing advanced phthalocyanine-based functional materials.

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Product Technical Details

Product Overview

3-Nitrophthalonitrile is a high-value aromatic dinitrile compound widely employed as a key building block in the synthesis of functionalized phthalocyanines. With a molecular formula of C8H3N3O2 and a molecular weight of 173.13 g/mol, this compound features a nitro group strategically positioned at the 3-position of the phthalonitrile core, enabling regioselective derivatization for tailored material properties.

Specifications

Molecular FormulaC8H3N3O2
Molecular Weight173.128 g/mol
CAS Number51762-67-5
AppearanceWhite to light green powder
Purity≥98.0%
Melting Point162–165 °C (lit.)
Boiling Point386.1 °C at 760 mmHg
Density1.41 g/cm³
Flash Point187.3 °C
Refractive Index1.602

Industrial Applications

As a specialized intermediate, 3-Nitrophthalonitrile serves as an essential precursor in the production of nitrophthalocyanines and their metallated derivatives. These compounds are integral to advanced applications including:

  • High-performance pigments and dyes with enhanced thermal and chemical stability
  • Organic semiconductors for optoelectronic devices
  • Photodynamic therapy agents and diagnostic imaging probes
  • Catalytic systems leveraging metal-phthalocyanine frameworks

The electron-withdrawing nitro group facilitates further nucleophilic substitution or reduction pathways, allowing chemists to fine-tune electronic and solubility characteristics for target applications.

Handling and Storage

This product should be stored in a tightly sealed container under cool, dry, and well-ventilated conditions, away from incompatible substances such as strong oxidizers or reducing agents. Standard industrial hygiene practices are recommended during handling.