778-94-9 | 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE

CAS:778-94-9 | 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE,Description

2-Nitro-4-(trifluoromethyl)benzonitrile is a chemical compound with the molecular formula C8H3F3N2O2. It is used as a pharmaceutical intermediate.

Synthesis Analysis

The synthesis of 2-Nitro-4-(trifluoromethyl)benzonitrile involves several steps. One method involves the use of 3-nitro-4-chlorobenzotrifluoride, prussiate, catalyst I, catalyst II, and solvent N-methyl pyrilidone. Another method involves the ammonolysis reaction carried out on 4-trichloromethyl-3-nitrobenzotrifluoride by ammonia.

Molecular Structure Analysis

The molecular structure of 2-Nitro-4-(trifluoromethyl)benzonitrile consists of a benzene ring with a nitro group (-NO2) and a trifluoromethyl group (-CF3) attached to it, along with a nitrile group (-CN). The molecular weight of this compound is 216.12 g/mol.

Physical And Chemical Properties Analysis

2-Nitro-4-(trifluoromethyl)benzonitrile is a solid substance with a boiling point of 156-158 °C/18 mmHg and a melting point of 44-47 °C. It has a molecular weight of 216.12 g/mol.

Scientific Research Applications

Application

2-Nitro-4-(trifluoromethyl)benzonitrile is used in the field of organic synthesis. It’s a chemical compound that can be synthesized through a specific process.

Method of Application

The synthesis process of 2-Nitro-4-(trifluoromethyl)benzonitrile includes several steps:

• Ammonolysis: Ammonolysis reaction is carried out on 4-trichloromethyl-3-nitrobenzotrifluoride by ammonia to obtain a product 2-nitro-4-trifluoromethylbenzonitrile.

Results

This process can significantly reduce the production cost of enterprises, meets the requirement of environmental protection, and is beneficial to the realization of industrial production.

Preparation of 2-Nitro-4-(Trifluoromethyl)Benzaldehyde

Application

2-Nitro-4-(trifluoromethyl)benzonitrile is used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.

Results

The outcome of this application is the production of 2-nitro-4-(trifluoromethyl)benzaldehyde.

Safety And Hazards

2-Nitro-4-(trifluoromethyl)benzonitrile is considered hazardous according to the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200). It has potential for acute oral toxicity, acute dermal toxicity, acute inhalation toxicity - dusts and mists, skin corrosion/irritation, serious eye damage/eye irritation, and specific target organ toxicity (single exposure) with the target organs being the respiratory system.

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