778-94-9

Basic information

• Product Name: 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE
• Synonyms: Benzonitrile, 2-nitro-4-(trifluoromethyl)-;4-CYANO-3-NITROBENZOTRIFLUORIDE;2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE;BUTTPARK 32\10-73;2-Nitro-4-fluoromethylbenzonitrile;2-Nitro-4-trifluoromethylbenzotrile;4-Cyano-3-nitrobenzotrifluoride 99%;4-Cyano-3-nitrobenzotrifluoride99%
• CAS NO: 778-94-9
• Molecular Formula: C₈H₃F₃N₂O₂
• Molecular Weight: 216.12
• EINECS: 212-298-1
• Product Categories: C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 778-94-9.mol
• Article Data: 23

Chemical Properties

• Melting Point: 44-47 °C(lit.)
• Boiling Point: 156-158 °C18 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: yellow crystalline chunks
• Density: 1.5604 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1882259
• CAS DataBase Reference: 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE(778-94-9)
• EPA Substance Registry System: 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE(778-94-9)

Safety Data

• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-20/21/22-36/38
• Safety Statements: 26-36-36/37/39-36/37
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 778-94-9(Hazardous Substances Data)

Usage

Description

2-Nitro-4-(trifluoromethyl)benzonitrile is a yellow crystalline compound that serves as an important intermediate in the synthesis of various organic compounds.

Uses

Used in Pharmaceutical Industry:
2-Nitro-4-(trifluoromethyl)benzonitrile is used as a key intermediate in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde, which is a crucial building block for the synthesis of pharmaceuticals with potential therapeutic applications.
Used in Chemical Synthesis:
2-Nitro-4-(trifluoromethyl)benzonitrile is used as a versatile intermediate in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and reactivity make it a valuable component in the development of new and innovative chemical products.

InChI:InChI=1/Ca.FH/h;1H/q+2;/p-1

Upstream product

• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 336866-07-0 bis(2-hydroxy-1,1,2-trimethylpropyl)cyanoboronate 
• 349-03-1 1-bromo-4-trifluoromethyl-2-nitrobenzene 
• 544-92-3 copper(I) cyanide 
• 151-50-8 potassium cyanide 
• 400-98-6 4-trifluoromethyl-2-nitroaniline 
• 320-94-5 2-nitro-4-trifluoromethylbenzoic acid 
• 109-77-3 malononitrile 
• 532-28-5 (RS)-mandelonitrile 
• 459-22-3 4-fluorophenylacetonitrile 
• 2947-61-7 (4-methylphenyl)acetonitrile 
• 140-29-4 phenylacetonitrile 
• 7677-24-9 trimethylsilyl cyanide 
• 631-57-2 Acetyl cyanide 

Downstream Products

• 320-94-5 2-nitro-4-trifluoromethylbenzoic acid 
• 610-29-7 2-nitroterephthalic acid 
• 109466-87-7 4-(trifluoromethyl)-2-nitrobenzaldehyde 
• 16499-58-4 7-(trifluoromethyl)quinazolin-4(3H)-one 
• 58579-56-9 [2-nitro-4-(trifluoromethyl)phenyl]-methylamine 
• 35212-91-0 methyl 3-amino-6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate 
• 132927-08-3 2-methoxy-4-trifluoromethyl-benzonitrile 
• 81465-87-4 2-(Benzyloxy)-4-(trifluoromethyl)benzonitrile 
• 1259323-42-6 2-iodo-4-trifluoromethyl-benzonitrile 
• 161462-33-5 1-cyano-2-methylthio-4-trifluoromethylbenzene 
• 1383827-77-7 2-methanesulfonyl-4-trifluoromethyl-benzonitrile 
• 141112-29-0 isoxaflutole 
• 3833-78-1 7-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione 
• 396-02-1 2,4-dichloro-7-(trifluoromethyl)quinazoline 

Relevant articles and documents

Conversions of aryl carboxylic acids into aryl nitriles using multiple types of Cu-mediated decarboxylative cyanation under aerobic conditions

Here, we used malononitrile or AMBN as a cyanating agent to develop efficient and practical protocols for Cu-mediated decarboxylative cyanations, under aerobic conditions, of aryl carboxylic acids bearing nitro and methoxyl substituents at the ortho position as well as of heteroaromatic carboxylic acids. These protocols involved economical methods to synthesize value-added aryl nitriles from simple and inexpensive raw materials. Further diversification of the 2-nitrobenzonitrile product was performed to highlight the practicality of the protocols. This journal is

Synthesis method of p-trifluoromethyl benzonitrile compound

The invention relates to a preparation method of a p-trifluoromethyl benzonitrile compound. The structural formula of the p-trifluoromethyl benzonitrile compound is shown as formula (I), wherein X isa group selected from nitro or halogen. The p-trifluoromethyl benzonitrile compound is prepared by reacting a compound shown as formula (II) with cuprous cyanide under the action of sodium bromide or/and potassium bromide. The method provided by the invention adopts a low-cost catalyst, has a reaction conversion rate and selectivity up to 95% or more, also makes inorganic salts and tar easy to separate in the subsequent treatment process, thereby simplifying the post-treatment process and reducing the discharge of three wastes, and the method is suitable for large-scale industrial production.

Preparation method of 2-nitro-4-trifluoromethyl benzonitrile

The invention discloses a preparation method of 2-nitro-4-trifluoromethyl benzonitrile, and belongs to the technical field of synthesis of refined chemical intermediates. The preparation method comprises the following steps: enabling 2-nitro-4-trifluoromethyl benzaldehyde serving as a raw material to be in reaction with hydroxylamine hydrochloride and inorganic alkali in water to obtain 2-nitro-4-trifluoromethyl benzaldehyde oxime, then performing dehydration reaction on the 2-nitro-4-trifluoromethyl benzaldehyde oxime in the presence of a nickel compound catalyst to obtain the 2-nitro-4-trifluoromethyl benzonitrile. The dehydration reaction catalyst used in the preparation method is formed by compounding nickel acetate and Raney nickel, is relatively high in activity, and can improve thereaction selectivity and the product yield; as the cost is low, the production and manufacturing cost is reduced, and economic benefits are increased.