Description

4-tert-Butoxyisophthalonitrile is a specialized aromatic nitrile derivative, serving as a high-value intermediate in advanced organic synthesis. Its molecular structure, featuring both a tert-butoxy ether and two nitrile groups, makes it a versatile building block for constructing complex heterocyclic systems and functional materials. This compound is essential for R&D and production in the pharmaceutical and agrochemical sectors, where it is used to develop novel active ingredients and performance chemicals.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Building block for developing advanced herbicides, fungicides, and plant growth regulators with enhanced efficacy.
• Ligand and Catalyst Development: Used to create specialized ligands for transition metal catalysis and asymmetric synthesis.
• Functional Material Research: Intermediate in the production of organic semiconductors, liquid crystals, and photoactive polymers.
• Dye and Pigment Chemistry: Serves as a starting material for synthesizing specialized phthalocyanine derivatives and high-performance colorants.
• Academic and Industrial R&D: Critical reagent for methodological studies in organic chemistry and process development.

Basic Information

Product Name	4-tert-Butoxyisophthalonitrile
CAS No.	166976-22-3
Molecular Formula	C₁₃H₁₄N₂O
Molecular Weight	214.26 g/mol
Synonyms	4-(tert-Butoxy)isophthalonitrile; 1,3-Dicyano-5-tert-butoxybenzene; 5-tert-Butoxyisophthalonitrile; 4-tert-Butyloxyisophthalonitrile; Isophthalonitrile, 4-tert-butoxy-; 166976-22-3; 4-tert-Butoxybenzene-1,3-dicarbonitrile
EINECS	Contact for details

Quality Control

Our 4-tert-Butoxyisophthalonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, documenting all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for your most demanding synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). The compound is moisture-sensitive; keep the container tightly sealed in a dry environment to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.