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

Chemical Properties

white to light yellow crystal powder

Uses

Different sources of media describe the Uses of 939-79-7 differently. You can refer to the following data:
1. 2-Nitro-p-toluonitrile (cas# 939-79-7) is a compound useful in organic synthesis.
2. 4-Methyl-3-nitrobenzonitrile may be used in the synthesis of (E)-1-(4-cyano-2-nitrophenyl)-2-(4-(4-cyanophenoxy)phenyl)ethene and (E)-1-(4-fluorophenyl)-2-(4-cyano-2-nitrophenyl)ethene.

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

Upstream product

• 104-85-8 para-methylbenzonitrile 
• 153622-00-5 3-Azido-3-(4-methyl-3-nitro-phenyl)-3H-diazirine 
• 31680-07-6 4-methyl-3-nitrobenzaldehyde 
• 7697-37-2 nitric acid 
• 89-59-8 4-chloro-2-nitrotoluene 
• 151-50-8 potassium cyanide 
• 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 
• 153621-94-4 (3-nitro-4-methylphenyl)chlorodiazirine 

Downstream Products

• 61599-55-1 2-nitro-stilbene-4-carbonitrile 
• 3261-20-9 1.3-bis-(2-nitro-4-cyano-trans-styryl)-benzene 
• 61599-61-9 4'-acetylamino-2-nitro-stilbene-4-carbonitrile 
• 65199-95-3 4'-hydroxy-2-nitro-stilbene-4-carbonitrile 
• 15331-81-4 4'-methoxy-2-nitro-stilbene-4-carbonitrile 
• 61599-63-1 4'-hydroxy-3'-methoxy-2-nitro-stilbene-4-carbonitrile 
• 2571-42-8 4-Cyan-4'-methyl-2,3'-dinitro-trans-stilben 
• 2571-43-9 4-Cyan-4'-methoxy-2.3'-dinitro-trans-stilben 
• 61293-30-9 4-((E)-2-Dimethylamino-vinyl)-3-nitro-benzonitrile 
• 65199-94-2 2-nitro-stilbene-4-carboxylic acid 
• 861531-74-0 α,α'-dichloro-4'-methoxy-2-nitro-bibenzyl-4-carbonitrile 
• 61293-30-9 trans-4-[β-(dimethylamino)vinyl]-3-nitrobenzonitrile 
• 104291-63-6 2-formyl-1H-indole-6-carbonitrile 

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.