4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE

Base Information

• Chemical Name: 4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE
• CAS No.: 18018-35-4
• Molecular Formula: C8H5 Cl F3 N O2
• Molecular Weight: 239.581
• Hs Code.: 2904909090
• Mol file: 18018-35-4.mol

Synonyms:o-Xylene,4-chloro-a1,a1,a1-trifluoro-5-nitro- (7CI,8CI)

Chemical Property of 4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE

Chemical Property:

• Vapor Pressure: 0.0232mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 257.6°C at 760 mmHg
• Flash Point: 109.6°C
• PSA: 45.82000
• Density: 1.469g/cm³
• LogP: 4.09860
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE

There total 5 articles about 4-CHLORO-2-METHYL-3-NITROBENZOTRIFLUORIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

4-chloro-2-methyl-5-nitrobenzoic acid (476660-41-0) → 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene (18018-35-4)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 85 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.9b03011

Reference yield:

4-chloro-2-methyl-1-(trifluoromethyl)benzene (13630-22-3) → 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene (18018-35-4)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (3274-12-2) → 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene (18018-35-4)

Guidance literature:

Multi-step reaction with 3 steps

1: PCl₅, POCl₃ / 155 - 165 °C

2: SbF₃

3: H₂SO₄, HNO₃

With phosphorus pentachloride; sulfuric acid; nitric acid; antimony(III) fluoride; trichlorophosphate;

upstream raw materials:

4-chloro-2-methyl-1-(trifluoromethyl)benzene

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

1-Chlor-3-methyl-4-trichlormethyl-benzol

4-chloro-2-methyl-5-nitrobenzoic acid

Downstream raw materials:

4,5-Diamino-2-trifluormethyl-toluol

1-methyl-4-nitro-2-(trifluoromethyl) benzene

4-nitro-2-(trifluoromethyl)benzoic acid

5-methyl-2-nitro-4-triflouromethyl-phenylamine

Refernces