2995-45-1

Basic information

• Product Name: 3-(Trifluoromethoxy)nitrobenzene
• Synonyms: 1-nitro-3-(trifluoromethoxy)benzene;3-(TRIFLUOROMETHOXY)NITROBENZENE;3-(Trifluoromethoxy)nitrobenzene 97%;3-(Trifluoromethoxy)nitrobenzene97%;m-nitrotrifluoromethoxybenzene;3-(trifluoromrthoxy)nitrobebzene;m-trifluoromethoxynitrobenzene
• CAS NO: 2995-45-1
• Molecular Formula: C₇H₄F₃NO₃
• Molecular Weight: 207.11
• Mol File: 2995-45-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 240-242 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.391 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.293mmHg at 25°C
• Refractive Index: n20/D 1.502(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-(Trifluoromethoxy)nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethoxy)nitrobenzene(2995-45-1)
• EPA Substance Registry System: 3-(Trifluoromethoxy)nitrobenzene(2995-45-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 2995-45-1(Hazardous Substances Data)

Usage

General Description

"3-(Trifluoromethoxy)nitrobenzene" is a chemical compound that, as its name suggests, contains the elements of nitrogen, fluorine, oxygen, carbon and hydrogen. Primarily found in an off-white solid state, this compound is generally used in the field of organic synthesis. It is used to design and build more complex structures, due to the reactivity of its nitro group and trifluoromethoxy group, which gel well with a variety of other chemicals and substances. The handling and storage of this chemical require controlled temperature conditions, and it needs to be kept in a place away from sources of heat or sparks, in compliance with safety guidelines for handling chemicals.

InChI:InChI=1/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H

Upstream product

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Downstream Products

• 235101-48-1 2-nitro-6-(trifluoromethoxy)aniline 

Relevant articles and documents

Electrochemical Trifluoromethoxylation of (Hetero)aromatics with a Trifluoromethyl Source and Oxygen

Trifluoromethoxylated aromatics (ArOCF3) are valuable structural motifs in the area of drug discovery due to the enhancement of their desired physicochemical properties upon the introduction of the trifluoromethoxy group (CF3O). Although significant progress has been made recently in the introduction of CF3O group into aromatics, current methods either require the use of expensive trifluoromethoxylation reagents or require harsh reaction conditions. We present a conceptually new and operationally simple protocol for the direct C?H trifluoromethoxylation of (hetero)aromatics by the combination of the readily available trifluoromethylating reagent and oxygen under electrochemical reaction conditions. This reaction proceeds through the initial generation of CF3 radical followed by conversion to CF3O radical, addition to (hetero)aromatics and rearomatization. The utility of this electrochemical trifluoromethoxylation is illustrated by the direct incorporation of CF3O group into a variety of (hetero)aromatics as well as bio-relevant molecules.

Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow

The first example of photocatalytic trifluoromethoxylation of arenes and heteroarenes under continuous-flow conditions is described. Application of continuous-flow microreactor technology allowed to reduce the residence time up to 16 times in comparison t

Silver-Mediated Trifluoromethoxylation of (Hetero)aryldiazonium Tetrafluoroborates

Here we report a silver-mediated trifluoromethoxylation of (hetero)aryldiazonium tetrafluoroborates by converting an aromatic amino group into an OCF3 group. This method, which can be considered to be a trifluoromethoxylation variation of the classic Sandmeyer-type reaction, uses readily available aryl and heteroaromatic amines as starting materials and AgOCF3 as trifluoromethoxylating reagents. The broad substrate scope and simple, mild reaction condition made this transformation a valuable method in constructing aryl-OCF3 bonds.