939-79-7

Basic information

• Product Name: 4-Methyl-3-nitrobenzonitrile
• Synonyms: 3-NITRO-P-TOLUNITRILE;3-NITRO-4-METHYLBENZONITRILE;4-METHYL-3-NITROBENZONITRILE;4-Cyano-2-nitrotoluene;4-Methy-3-Nitro benzonitrile;Benzonitrile, 4-methyl-3-nitro-;4-Cyano-2-nitrotoluene, 5-Cyano-2-methylnitrobenzene;3-Nitro-p-tolunitrile 4-Cyano-2-nitrotoluene
• CAS NO: 939-79-7
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Nitriles;Aromatics
• Mol File: 939-79-7.mol
• Article Data: 17

Chemical Properties

• Melting Point: 102-106 °C(lit.)
• Boiling Point: 171°C 12mm
• Flash Point: 171°C/12mm
• Appearance: White to yellow to pale brown/Crystalline Powder
• Density: 1.26g/cm³
• Vapor Pressure: 0.00346mmHg at 25°C
• Refractive Index: 1.568
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2047311
• CAS DataBase Reference: 4-Methyl-3-nitrobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl-3-nitrobenzonitrile(939-79-7)
• EPA Substance Registry System: 4-Methyl-3-nitrobenzonitrile(939-79-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 939-79-7(Hazardous Substances Data)

Usage

Description

4-Methyl-3-nitrobenzonitrile, with the chemical formula C8H6N2O2, is an organic compound that serves as an important intermediate in the synthesis of various organic compounds. It is characterized by the presence of a nitro group, a methyl group, and a nitrile group attached to a benzene ring.

Uses

Used in Organic Synthesis:
4-Methyl-3-nitrobenzonitrile is used as a key intermediate in the synthesis of various organic compounds, including (E)-1-(4-cyano-2-nitrophenyl)-2-(4-(4-cyanophenoxy)phenyl)ethene and (E)-1-(4-fluorophenyl)-2-(4-cyano-2-nitrophenyl)ethene. Its unique structure allows it to be a versatile building block for the development of new molecules with potential applications in various fields.
Used in Pharmaceutical Industry:
4-Methyl-3-nitrobenzonitrile is used as a starting material for the synthesis of pharmaceutical compounds. Its reactivity and functional groups make it suitable for the development of new drugs with potential therapeutic applications.
Used in Chemical Research:
4-Methyl-3-nitrobenzonitrile is also used in chemical research to study the properties and reactions of nitro and nitrile groups. It can be employed to investigate the effects of these functional groups on the reactivity and stability of organic molecules, contributing to the advancement of organic chemistry.

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

Upstream product

• 7697-37-2 nitric acid 
• 104-85-8 para-methylbenzonitrile 
• 41252-97-5 4-iodo-2-nitrotoluene 
• 84-58-2 2,3-dicyano-5,6-dichloro-p-benzoquinone 
• 166522-39-0 4-methyl-3-nitro-benzimidic acid methyl ester 
• 89-59-8 4-chloro-2-nitrotoluene 
• 151-50-8 potassium cyanide 
• 31680-07-6 4-methyl-3-nitrobenzaldehyde 
• 153622-00-5 3-Azido-3-(4-methyl-3-nitro-phenyl)-3H-diazirine 
• 153621-94-4 (3-nitro-4-methylphenyl)chlorodiazirine 

Downstream Products

• 61599-55-1 2-nitro-stilbene-4-carbonitrile 
• 61599-62-0 4-(2-benzo[1,3]dioxol-5-yl-vinyl)-3-nitro-benzonitrile 
• 3261-20-9 1.3-bis-(2-nitro-4-cyano-trans-styryl)-benzene 
• 860572-86-7 4'-methyl-2-nitro-stilbene-4-carbonitrile 
• 2695-69-4 4,4-(1E,1E)-2,2-(1,4-phenylene)-bis(ethene-2,1-diyl)bis(3-nitrobenzonitrile) 
• 65199-95-3 4'-hydroxy-2-nitro-stilbene-4-carbonitrile 
• 2695-74-1 3'-Formyl-2-nitro-trans-stilben-4-carbonitril 
• 61599-55-1 4-Cyan-2-nitro-trans-stilben 
• 1426135-85-4 methyl 3-(3-(3-(7-bromoimidazo[1,2-a]pyridine-3-carboxamido)-4-methylphenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 
• 1426133-15-4 methyl 3-(3-(4-methyl-3-(6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 
• 1426133-19-8 methyl 3-(3-(4-methyl-3-(7-(1-methyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 
• 1426133-20-1 methyl 3-(3-(4-methyl-3-(7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 
• 1426133-24-5 methyl 3-(3-(4-methyl-3-(7-methylimidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 
• 1426133-25-6 methyl 3-(3-(4-methyl-3-(6-methylimidazo[1,2-a]pyridine-3-carboxamido)phenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate 

Relevant articles and documents

Mild Darzens Annulations for the Assembly of Trifluoromethylthiolated (SCF3) Aziridine and Cyclopropane Structures

We report mild new annulation approaches to trisubstituted trifluoromethylthiolated (SCF3) aziridines and cyclopropanes via Darzens inspired protocols. The products of these anionic annulations, rarely studied previously, possess attractive features rendering them valuable building blocks for synthesis platforms. In this study, trisubstituted acetophenone nucleophiles bearing SCF3 and bromine substituents in their α position were shown to undergo [2 + 1] annulations with vinyl ketones and tosyl-protected imines under mild reaction conditions.

Copper- and silver-mediated cyanation of aryl iodides using ddq as cyanide source

A new copper and silver-mediated cyanation of aryl iodides with DDQ as a cyanide source is achieved, providing nitriles with good yields. This new approach represents a safe method leading to aryl nitriles. A new copper and silver-mediated cyanation of aryl iodides with DDQ as a cyanide source is achieved.

Quinoxaline compounds

Certain amidophenyl-sulfonylamino-quinoxaline compounds are CCK2 modulators useful in the treatment of CCK2 mediated diseases.