Description

4-tert-Butyl-2-Nitrobenzonitrile is a specialized aromatic nitrile derivative that serves as a versatile and high-value synthetic intermediate. Its molecular structure, featuring both a nitro and a nitrile group on a tert-butyl-substituted benzene ring, makes it a critical precursor for constructing complex molecules in advanced chemical synthesis. This compound is primarily sought after by research institutions and industrial R&D departments engaged in pharmaceutical development, agrochemical research, and the creation of novel functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds targeting central nervous system disorders and inflammation.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and plant growth regulators, leveraging its aromatic backbone for bioactivity.
• Organic Light-Emitting Diode (OLED) Materials: Serves as a precursor for electron-transport materials or host materials in OLED displays and lighting due to its electron-withdrawing nitro and nitrile groups.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalysis in asymmetric synthesis and cross-coupling reactions.
• Dye and Pigment Intermediate: Acts as a starting material for the synthesis of complex azo dyes and high-performance pigments.
• Academic and Contract Research: Utilized in universities and CROs (Contract Research Organizations) for methodological studies and exploring new chemical spaces.

Basic Information

Product Name	4-tert-Butyl-2-Nitrobenzonitrile
CAS No.	1245649-18-6
Molecular Formula	C11H12N2O2
Molecular Weight	204.23 g/mol
Synonyms	2-Nitro-4-tert-butylbenzonitrile; 4-(tert-Butyl)-2-nitrobenzonitrile; p-tert-Butyl-o-nitrobenzonitrile; Benzonitrile, 4-(1,1-dimethylethyl)-2-nitro-; 1-tert-Butyl-4-cyano-3-nitrobenzene; 4-tert-Butyl-2-nitro-benzonitrile
EINECS	Contact for details

Quality Control

Our 4-tert-Butyl-2-Nitrobenzonitrile is manufactured under strict quality management systems. Every 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 each shipment, documenting all critical parameters. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your most demanding synthesis projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The compound should be kept away from strong oxidizing agents, strong bases, and sources of ignition. For long-term storage, consider an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Off-white to pale yellow 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	≤ 20 ppm

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