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3,5-Dimethylbenzonitrile(CAS#22445-42-7)

Chemical Property:

Molecular Formula C9H9N
Molar Mass 131.17
Density 0.99±0.1 g/cm3(Predicted)
Melting Point 42-43°C
Boling Point 243.1±9.0 °C(Predicted)
Flash Point 100.8°C
Vapor Presure 0.0327mmHg at 25°C
Storage Condition Sealed in dry,Room Temperature
Refractive Index 1.525
MDL MFCD00060670

Product Detail

Product Tags

Hazard Symbols Xi - Irritant
Risk Codes 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs 3276
Hazard Class IRRITANT-HARMFUL

 

Introduction

3,5-Dimethylbenzonitrile is an organic compound. It has the following properties and uses:Properties:- Colorless to light yellow solid in appearance. - Soluble in organic solvents such as ethanol, toluene, etc. - Has an aromatic odor. Uses:- 3,5-dimethylbenzonitrile is often used as a raw material and intermediate for organic synthesis reactions. Preparation method:- The preparation of 3,5-dimethylbenzonitrile can be completed by the methylation of benzene and the synthesis reaction of nitrile. - The specific preparation method can be to react methyl chloride and benzene under alkaline conditions to obtain phenyl methylate, and then react phenylmethyl and cyanide to obtain 3,5-dimethylbenzonitrile. Safety information:- 3,5-dimethylbenzonitrile has an irritating effect on the skin and eyes, rinse with plenty of water in time after contact. - When using and storing, it is necessary to avoid contact with strong oxidizing agents. - Wear appropriate protective equipment such as gloves, goggles, etc. during operation.

Application
3,5-Dimethylbenzonitrile (CAS 22445-42-7) is a versatile aromatic nitrile building block widely used in pharmaceutical and agrochemical research. The nitrile group enables transformations to carboxylic acids, amides, amidines, and tetrazoles, while the two methyl groups provide steric and electronic modulation. This compound serves as a key intermediate in the synthesis of bioactive molecules including kinase inhibitors, antifungal agents, and anti-inflammatory drug candidates. In agrochemistry, it is utilized as a precursor for herbicides, fungicides, and insecticides, where the 3,5-dimethyl pattern enhances metabolic stability and crop protection efficacy. Its rigid aromatic core improves target binding affinity and bioavailability. Additionally, 3,5-dimethylbenzonitrile is employed in the preparation of specialty polymers, liquid crystal materials, and organic light-emitting diodes (OLEDs). It also functions as a reference standard for analytical method development and impurity profiling in pharmaceutical quality control. High purity ensures reproducible results in high-throughput screening, structure-activity relationship (SAR) studies, and scalable GMP manufacturing. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of high-purity 3,5-dimethylbenzonitrile with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.


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