3-METHYL-4-NITROBENZONITRILE

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3-METHYL-4-NITROBENZONITRILE Basic information
Product Name:3-METHYL-4-NITROBENZONITRILE
Synonyms:4-NITRO-M-TOLUNITRILE;3-METHYL-4-NITROBENZONITRILE;3-Methyl-4-nitrobenzonitrile 97%;5-Cyano-2-nitrotoluene, 4-Cyano-2-methylnitrobenzene;-METHYL-4-NITROBENZO;5-Cyano-2-nitrotoluene, 4-Nitro-m-tolunitrile;4-Nitro-3-methylbenzonitrile;Benzonitrile, 3-methyl-4-nitro-
CAS:96784-54-2
MF:C8H6N2O2
MW:162.15
EINECS:
Product Categories:Aromatic Nitriles
Mol File:96784-54-2.mol
3-METHYL-4-NITROBENZONITRILE Structure
3-METHYL-4-NITROBENZONITRILE Chemical Properties
Melting point 81-83°C
Boiling point 322.2±30.0 °C(Predicted)
density 1.26±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
AppearanceWhite to light brown Solid
Water Solubility Insoluble in water
BRN 2443778
CAS DataBase Reference96784-54-2(CAS DataBase Reference)
Safety Information
Hazard Codes T,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-36/37/39-45-36
RIDADR 3439
Hazard Note Toxic
HazardClass 6.1
PackingGroup III
HS Code 2926907090
MSDS Information
ProviderLanguage
ALFA English
3-METHYL-4-NITROBENZONITRILE Usage And Synthesis
Uses3-Methyl-4-nitrobenzonitrile is used to produce 4-amino-3-methyl-benzonitrile.
Synthesis
3-METHYL-4-NITROBENZAMIDE

99584-85-7

3-METHYL-4-NITROBENZONITRILE

96784-54-2

General procedure for the synthesis of 3-methyl-4-nitrobenzonitrile from 3-methyl-4-nitrobenzamide: 3-methyl-4-nitrobenzamide (5 g, 28 mmol) was dissolved in 300 ml of toluene under stirring conditions, followed by the slow addition of phosphorus oxychloride (POCl3, 22 g, 140 mmol). After the addition was completed, the reaction mixture was heated to reflux for 24 hours. Upon completion of the reaction, the mixture was carefully poured into ice water and extracted three times with ethyl acetate. The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Finally, the residue was purified by ethanol recrystallization to afford the target product 3-methyl-4-nitrobenzonitrile (3.2 g, 70% yield).

References[1] Patent: WO2014/172871, 2014, A1. Location in patent: Page/Page column 88
[2] Justus Liebigs Annalen der Chemie, 1867, vol. 144, p. 182
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973, p. 2940 - 2948
[4] Patent: US5034410, 1991, A
Tag:3-METHYL-4-NITROBENZONITRILE(96784-54-2) Related Product Information
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