2-Chloro-4-methylbenzotrifluoride

Base Information

• Chemical Name: 2-Chloro-4-methylbenzotrifluoride
• CAS No.: 74483-46-8
• Molecular Formula: C8H6 Cl F3
• Molecular Weight: 194.584
• Hs Code.: 2903999090
• European Community (EC) Number: 639-337-9
• DSSTox Substance ID: DTXSID40371483
• Wikidata: Q72453773
• Mol file: 74483-46-8.mol

Synonyms:2-Chloro-4-methylbenzotrifluoride;74483-46-8;2-chloro-4-methyl-1-(trifluoromethyl)benzene;3-Chloro-4-(trifluoromethyl)toluene;2-Chloro-4-methyl-1-trifluoromethyl-benzene;MFCD00190112;Benzene, 2-chloro-4-methyl-1-(trifluoromethyl)-;SCHEMBL1043249;DTXSID40371483;AKOS006228382;AC-4129;AM62093;CS-W015733;DS-2723;PS-8288;2-chloro4-methyl-1-trifluoromethylbenzene;2-Chloro-4-methylbenzotrifluoride, 97+%;2-Chloro-4-methyl-1-trifluoromethylbenzene;A9539;FT-0611783

Chemical Property of 2-Chloro-4-methylbenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.994mmHg at 25°C
• Boiling Point: 184.6°C at 760 mmHg
• Flash Point: 68.7°C
• PSA: 0.00000
• Density: 1.287g/cm³
• LogP: 3.66720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 194.0110124
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-methylbenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(F)(F)F)Cl

Technology Process of 2-Chloro-4-methylbenzotrifluoride

There total 1 articles about 2-Chloro-4-methylbenzotrifluoride 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:

tetrachloromethane (56-23-5) + 1-chloro-3-methylbenzene (108-41-8) → 4-chloro-2-methyl-1-(trifluoromethyl)benzene (13630-22-3) + 2-chloro-4-methyl-1-trifluoromethylbenzene (74483-46-8)

Guidance literature:

With hydrogen fluoride; at 105 ℃; for 10h; Yield given. Yields of byproduct given;

DOI:10.1016/S0022-1139(00)82619-6

Reference yield: 97.0%

thiophosgene (463-71-8) + 2-chloro-4-methyl-1-trifluoromethylbenzene (74483-46-8) → 2-chloro-4-isothiocyanato-1-(trifluoromethyl)benzene (30613-71-9)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; for 4h;

Reference yield: 81.0%

2-chloro-4-methyl-1-trifluoromethylbenzene (74483-46-8) → 1-chloro-5-methyl-4-nitro-2-(trifluoromethyl)benzene (873006-35-0)

Guidance literature:

With nitric acid; sulfuric acid; In sulfuric acid; at 0 ℃; for 0.25h;

upstream raw materials:

tetrachloromethane

1-chloro-3-methylbenzene

Downstream raw materials:

3-chloro-4-(trifluoromethyl)benzyl bromide

4-(3-tertbutylphenoxy)-5-trifluoromethyl-2-methylaniline

4-(3-tertbutylphenoxy)-5-trifluoromethyl-2-methylnitrobenzene

1-chloro-5-methyl-4-nitro-2-(trifluoromethyl)benzene