393-75-9

Basic information

• Product Name: 1,3-Dinitro-2-chloro-5-trifluoromethylbenzene
• Synonyms: Benzene, 1-chloro-2,6-dinitro-4-trifluoromethyl;Benzene, 2-chloro-5-(trifluoromethyl)-1,3-dinitro-;Benzotrifluoride, 4-chloro-3,5-dinitro-;Toluene, 4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluoro-;Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitro-;Trifluoromethyl-3,5-dinitro-4-chlorobenzene;CDNT;DNT-CL
• CAS NO: 393-75-9
• Molecular Formula: C₇H₂ClF₃N₂O₄
• Molecular Weight: 270.55
• EINECS: 206-889-3
• Product Categories: Intermediate in synthesis of herbicide trifluralin
• Mol File: 393-75-9.mol
• Article Data: 12

Chemical Properties

• Melting Point: 50-55 °C(lit.)
• Boiling Point: >250°C
• Flash Point: 126°C
• Appearance: yellow crystalline powder
• Density: 1.6
• Storage Temp.: Store below +30°C.
• Solubility: water: insoluble
• Water Solubility: Insoluble in water.
• Stability: Stable. Incompatible with strong oxidizing agents.
• BRN: 1220937
• CAS DataBase Reference: 1,3-Dinitro-2-chloro-5-trifluoromethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dinitro-2-chloro-5-trifluoromethylbenzene(393-75-9)
• EPA Substance Registry System: 1,3-Dinitro-2-chloro-5-trifluoromethylbenzene(393-75-9)

Safety Data

• Hazard Codes: T,Xi
• Statements: 22-24-36/37/38
• Safety Statements: 36/37-45-36-26
• RIDADR: UN 2811 6.1/PG 2
• WGK Germany: 3
• RTECS: XS9065000
• TSCA: T
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 393-75-9(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder

Uses

4-Chloro-3,5-dinitrobenzotrifluoride is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

Reactivity Profile

A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Health Hazard

ACUTE/CHRONIC HAZARDS: Very toxic. Flammable. Irritant. Very hazardous decomposition.

InChI:InChI=1/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

Upstream product

• 118-97-8 4-chloro-3,5-dinitrobenzoic acid 
• 98-56-6 4-chlorobenzotrifluoride 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 7664-93-9 sulfuric acid 

Downstream Products

• 41104-22-7 N-Butyl-N-(2-chlorethyl)-2,6-dinitro-4-(trifluormethyl)anilin 
• 41104-16-9 N-(2-Hydroxymethyl)-N-(2-chlorethyl)-2,6-dinitro-4-(trifluormethyl)anilin 
• 26389-76-4 N-(2-Cyanethyl)-N-(2-chlorethyl)-2,6-dinitro-4-(trifluormethyl)anilin 
• 41122-91-2 N-(2-Phenylethyl)-N-(2-chlorethyl)-2,6-dinitro-4-(trifluormethyl)anilin 
• 393-77-1 α,α,α-Trifluoro-2,6-dinitro-p-cresol 
• 131182-93-9 3,5-dinitro-4-(1H-1,2,4-triazol-1-yl)benzotrifluoride 
• 142531-90-6 2-(4-Methoxy-phenyl)-7-nitro-5-trifluoromethyl-2,3-dihydro-benzothiazole 
• 116470-64-5 1,3-Dinitro-2,5-bis-trifluoromethyl-benzene 
• 401-99-0 3,5-dinitrobenzotrifluoride 
• 65516-68-9 1,2,3-Tris-phenylsulfanyl-5-trifluoromethyl-benzene 
• 1861-40-1 benefin 
• 17474-05-4 N-phenyl-2,6-dinitro-4-(trifluoromethyl)aniline 
• 2077-99-8 α,α,α-trifluoro-2,6-dinitro-N-propyl-p-toluidine 
• 5973-53-5 N-(3-pentyl)-4-trifluoromethyl-2,6-dinitroaniline 

Relevant articles and documents

Self-powered continuous nitration method and device

The invention belongs to the technical field of organic synthesis application, and particularly relates to a self-powered continuous nitration method and device. According to the method, a raw material (or a raw material solution) and mixed acid (or nitric acid) are added into a self-powered continuous reactor at the same time, reaction feed liquid continuously and circularly flows, is mixed and reacts in a tube pass through self-propelling force generated by stirring of an impeller, the mass and heat transfer process is completed, and the target requirement is met. According to the invention, the mass transfer and heat transfer efficiency can be improved, the heat exchange and heat transfer capabilities are improved, the reaction time is shortened, the risk degree of art is reduced, the thermal runaway risk is avoided, the reaction safety is improved, and the realization of chemical industry intrinsic safety large scale production is facilitated.

Synthesis, biological evaluation, and molecular docking studies of 2,6-dinitro-4-(trifluoromethyl)phenoxysalicylaldoxime derivatives as novel antitubulin agents

A series of 2,6-dinitro-4-(trifluoromethyl)phenoxysalicylaldoxime derivatives (1h-20h) have been designed and synthesized, and their biological activities were also evaluated as potential antiproliferation and tubulin polymerization inhibitors. Among all the compounds, 2h showed the most potent activity in vitro, which inhibited the growth of MCF-7, Hep-G2 and A549 cell lines with IC50 values of 0.70 ± 0.05, 0.68 ± 0.02 and 0.86 ± 0.05 μM, respectively. Compound 2h also exhibited significant tubulin polymerization inhibitory activity (IC50 = 3.06 ± 0.05 μM). The result of flow cytometry (FCM) demonstrated that compound 2h induced cell apoptosis. Docking simulation was performed to insert compound 2h into the crystal structure of tubulin at colchicine binding site to determine the probable binding model. Based on the preliminary results, compound 2h with potent inhibitory activity in tumor growth may be a potential anticancer agent.

4-Trifluoromethyl-2,6-dinitroanilines

This invention relates to a group of novel substituent anilines, useful in eliminating germinating and seedling weed grasses and selected broadleaf weeds.