1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene
• CAS No.: 74483-51-5
• Molecular Formula: C8H5Cl2F3
• Molecular Weight: 229.029
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20408923
• Nikkaji Number: J153.991D
• Wikidata: Q72468524
• Mol file: 74483-51-5.mol

Synonyms:74483-51-5;1,2-dichloro-4-methyl-5-(trifluoromethyl)benzene;3,4-DICHLORO-6-(TRIFLUOROMETHYL)TOLUENE;4,5-Dichloro-2-methyltrifluorotoluene;Benzene, 1,2-dichloro-4-methyl-5-(trifluoromethyl)-;4,5-Dichloro-2-methylbenzotrifluoride;3,4-DICHLORO-6-METHYLBENZOTRIFLUORIDE;SCHEMBL8915338;AMY7602;DTXSID20408923;OARYHYOOIUIKFZ-UHFFFAOYSA-N;MFCD06246858;AKOS005762913;AC-24749;PS-11543;CS-0317213;FT-0641523;(2-PHENOXYETHYLTHIO)ACETICACIDHYDRAZIDE;A25096;4,5-Dichloro-2-(trifluoromethyl)toluene;3,4-Dichloro-6-trifluoromethyltoluene

Chemical Property of 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.437mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 201.5 °C at 760 mmHg
• Flash Point: 88.3 °C
• PSA: 0.00000
• Density: 1.404 g/cm³
• LogP: 4.32060
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.9720400
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichloro-6-(trifluoromethyl)toluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(F)(F)F)Cl)Cl
• Uses: 3,4-Dichloro-6-(trifluoromethyl)toluene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Technology Process of 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene

There total 2 articles about 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene 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: 74.0%

3,4-Dichlorotoluene (95-75-0) → 1,2-Cl2-4-CF3-5-MeC6H2 (74483-51-5)

Guidance literature:

With hydrogen fluoride; In tetrachloromethane;

Reference yield:

tetrachloromethane (56-23-5) + 3,4-Dichlorotoluene (95-75-0) → 1,2-Cl2-4-CF3-5-MeC6H2 (74483-51-5) + 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene (80245-33-6)

Guidance literature:

With hydrogen fluoride; at 115 ℃; for 12h; Yield given. Yields of byproduct given;

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

Reference yield: 50.0%

1H-imidazole (288-32-4) + 1,2-Cl2-4-CF3-5-MeC6H2 (74483-51-5) → C11H8ClF3N2 (1123198-09-3)

Guidance literature:

With copper(l) iodide; N-[phenyl(acetylamino)methyl]acetamide; sodium methylate; In dimethyl sulfoxide; at 130 ℃; for 12h;

DOI:10.1055/s-0028-1087350

upstream raw materials:

tetrachloromethane

3,4-Dichlorotoluene

Downstream raw materials:

C₁₁H₈ClF₃N₂

Refernces

• 1、 Marhold, A.,Klauke, E.. "A New Method for the Trifluoromethylation of Aromatics". . p. 281 - 292. Retrieved 2007/10/02.