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3-methyl-5-trifluoromethylnitrobenzene is a nitrobenzene derivative characterized by the presence of a methyl and trifluoromethyl group attached to the benzene ring. With a molecular formula of C8H6F3NO2, this yellow crystalline solid has a molecular weight of 195.1 grams per mole and a melting point of 64-65°C. Its unique chemical structure makes it a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as a reagent in organic synthesis and a building block for other organic compounds.

96783-80-1

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96783-80-1 Usage

Uses

Used in Pharmaceutical Industry:
3-methyl-5-trifluoromethylnitrobenzene is used as an intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into the molecular structures of drugs, enhancing their therapeutic properties and effectiveness.
Used in Agrochemical Industry:
In the agrochemical sector, 3-methyl-5-trifluoromethylnitrobenzene serves as an intermediate in the production of agrochemicals, contributing to the development of more effective pesticides and other agricultural chemicals.
Used as a Reagent in Organic Synthesis:
3-methyl-5-trifluoromethylnitrobenzene is utilized as a reagent in organic synthesis, facilitating various chemical reactions due to its reactive functional groups, which can be further modified to produce a range of organic compounds.
Used as a Building Block for Organic Compounds:
3-methyl-5-trifluoromethylnitrobenzene also acts as a building block for the preparation of other organic compounds, allowing chemists to construct more complex molecules with specific properties and applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 96783-80-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,6,7,8 and 3 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 96783-80:
(7*9)+(6*6)+(5*7)+(4*8)+(3*3)+(2*8)+(1*0)=191
191 % 10 = 1
So 96783-80-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F3NO2/c1-5-2-6(8(9,10)11)4-7(3-5)12(13)14/h2-4H,1H3

96783-80-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methyl-3-nitro-5-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 3-methyl-5-trifluoromethylnitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:96783-80-1 SDS

96783-80-1Relevant academic research and scientific papers

Preparation method of 3-alkyl-5-trifluoromethylaniline

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Paragraph 0034-0035, (2020/12/30)

The invention discloses an effective synthesis method of 3-alkyl -5-trifluoromethylaniline. The method comprises an alkylation reaction and a reduction reaction. According to the alkylation reaction,a compound II 3-bromine -5-nitro benzotrifluoride and alkyl boric acid are used as substrates and react in dioxane at 100 DEG C in a nitrogen environment under the conditions of a palladium catalyst and a potassium carbonate aqueous solution to obtain an alkylation product as shown in a structural general formula III. And reduction reaction is carried out, namely dissolving the compound III serving as a substrate in ethanol at 80 DEG C under the condition of zinc and concentrated hydrochloric acid, and reacting to obtain the 3-alkyl- 5-trifluoromethylaniline shown in the structural general formula I. The method is economical, and the substrates 3-bromine -5-nitro benzotrifluoride and alkyl boric acid reagents are very cheap; acid is not needed in the alkylation step, and environmental friendliness is achieved; the alkylation reaction yield is high, and the product I can be subjected to gram-grade preparation.

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