64113-86-6

Basic information

• Product Name: 5-METHYL-2-NITROBENZONITRILE
• Synonyms: Benzonitrile,5-Methyl-2-nitro-
• CAS NO: 64113-86-6
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• Product Categories: Aromatic Nitriles
• Mol File: 64113-86-6.mol

Chemical Properties

• Boiling Point: 338.9 °C at 760 mmHg
• Flash Point: 158.8 °C
• Appearance: /
• Density: 1.26 g/cm³
• Vapor Pressure: 9.52E-05mmHg at 25°C
• Refractive Index: 1.568
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-METHYL-2-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-2-NITROBENZONITRILE(64113-86-6)
• EPA Substance Registry System: 5-METHYL-2-NITROBENZONITRILE(64113-86-6)

Safety Data

• Hazardous Substances Data: 64113-86-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-Methyl-2-nitrobenzonitrile is used as a key intermediate for the synthesis of various pharmaceuticals. Its functional groups facilitate the development of new drugs with specific therapeutic properties.
Used in Dye Industry:
In the dye industry, 5-Methyl-2-nitrobenzonitrile is used as a precursor in the production of dyes. Its chemical structure contributes to the creation of dyes with unique color characteristics.
Used in Agrochemical Industry:
5-Methyl-2-nitrobenzonitrile is utilized as a building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its presence in these compounds aids in enhancing their effectiveness in agricultural applications.
Used in Specialty Chemicals Production:
5-METHYL-2-NITROBENZONITRILE is used as a raw material in the production of specialty chemicals. Its unique properties allow for the development of chemicals with specific applications in various industries.
Used as a Reagent in Organic Synthesis:
5-Methyl-2-nitrobenzonitrile serves as a reagent in organic synthesis, enabling chemists to carry out specific reactions and form desired products with precision and efficiency.

InChI:InChI=1/C8H6N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,1H3

Upstream product

• 65152-29-6 (5-methyl-2-nitro-phenyl)-pyruvic acid 
• 620-22-4 3-Methylbenzonitrile 
• 4315-12-2 5-methyl-2-nitrobenzamide 
• 544-92-3 copper(I) cyanide 
• 38939-88-7 2-chloro-4-methyl-1-nitrobenzene 
• 38818-49-4 5-methyl-2-nitrobenzoyl chloride 
• 1448721-86-5 C₈H₈N₂O₃ 
• 3113-72-2 5-methyl-2-nitrobenzoic acid 
• 13435-20-6 tetraethylammoniumcyanide 
• 7664-93-9 sulfuric acid 

Downstream Products

• 5925-93-9 2-amino-5-methylbenzonitrile 
• 3113-72-2 5-methyl-2-nitrobenzoic acid 
• 4315-12-2 5-methyl-2-nitrobenzamide 
• 40545-33-3 2-amino-5-methylbenzamide 
• 227016-61-7 4'-carbomethoxy-3-cyano-4-nitrostilbene 
• 939970-59-9 2-benzylsulfanyl-5-methylbenzonitrile 
• 939970-67-9 2-mercapto-5-methylbenzonitrile 
• 72438-03-0 6-<<(4-fluorophenyl)methylamino>methyl>-2,4-quinazolinediamine 
• 98774-85-7 6-<<(4-bromophenyl)methylamino>methyl>-2,4-quinazolinediamine 
• 111783-37-0 6-{[(3-Chloro-phenyl)-methyl-amino]-methyl}-quinazoline-2,4-diamine 
• 111783-39-2 6-[(Ethyl-p-tolyl-amino)-methyl]-quinazoline-2,4-diamine 
• 72438-02-9 6-{[(2-Chloro-4-methyl-phenyl)-methyl-amino]-methyl}-quinazoline-2,4-diamine 
• 69827-77-6 6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-quinazoline-2,4-diamine 
• 98747-22-9 6-<<(4-chlorophenyl)(1-methylethyl)amino>methyl>-2,4-quinazolinediamine 

Relevant articles and documents

Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL)

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CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF

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Nitration of moderately deactivated arenes with nitrogen dioxide and molecular oxygen under neutral conditions. Zeolite-induced enhancement of regioselectivity and reversal of isomer ratios

In the presence of zeolites, moderately deactivated arenes such as 1-nitronaphthalene, naphthonitriles, and methylated benzonitriles can be smoothly nitrated at room temperature by the combined action of nitrogen dioxide and molecular oxygen. The regioselectivity is considerably improved as compared with the conventional nitration methodology based on nitric and sulfuric acids. In some cases, the minor isomer became favoured to a significant extent, resulting in the reversal of ordinary isomer ratios of nitration products.

Metabolism blocked classical folate analog inhibitors of dihydrofolate reductase-1: Synthesis and biological evaluation of Mobiletrex

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