2-Chloro-5-methylbenzotrifluoride

Base Information

Chemical Name:2-Chloro-5-methylbenzotrifluoride
CAS No.:80245-27-8
Molecular Formula:C8H6ClF3
Molecular Weight:194.584
Hs Code.:2903998090
DSSTox Substance ID:DTXSID90470798
Wikidata:Q82298974
Mol file:80245-27-8.mol

Synonyms:2-Chloro-5-methylbenzotrifluoride;80245-27-8;1-chloro-4-methyl-2-(trifluoromethyl)benzene;SCHEMBL167133;DTXSID90470798;AVYYJKOBUUDCCH-UHFFFAOYSA-N;IMPMIXZCWUYXMI-UHFFFAOYSA-N;MFCD00035988;AKOS006345691;FS-6320;2-Chloro-4-methylbenzotrifluoride,97+%;FT-0691005

Suppliers and Price of 2-Chloro-5-methylbenzotrifluoride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-CHLORO-5-METHYLBENZOTRIFLUORIDE 95.00%
100G
$ 2881.49

Alichem
1-Chloro-4-methyl-2-(trifluoromethyl)benzene
1g
$ 400.00

Total 8 raw suppliers

Chemical Property of 2-Chloro-5-methylbenzotrifluoride

Chemical Property:

Boiling Point:177.9±35.0 °C(Predicted)
PSA：0.00000
Density:1.287±0.06 g/cm3(Predicted)
LogP:3.66720
Storage Temp.:2-8°C
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:

99% ^*data from raw suppliers

2-CHLORO-5-METHYLBENZOTRIFLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-5-methylbenzotrifluoride

There total 3 articles about 2-Chloro-5-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:

: 445-01-2
5-bromo-2-chlorobenzotrifluoride

: 676-58-4
methylmagnesium chloride

: 372956-43-9
4,4'-dichloro-3,3'-bis-trifluoromethyl-biphenyl

: 98-08-8
α,α,α-trifluorotoluene

: 84796-70-3
1,4-dimethyl-2-(trifluoromethyl)benzene

: 80245-27-8
3-trifluoromethyl-4-chloro-toluene

Guidance literature:: Ni(xantphos)Cl₂; In tetrahydrofuran; at 20 - 25 ℃; Further Variations:; Catalysts; Solvents; Temperatures; Product distribution;
DOI:10.1016/j.tetlet.2006.03.076

Reference yield:

: 320-50-3
1,4-dichloro-2-trifluoromethylbenzene

: 676-58-4
methylmagnesium chloride

: 80245-27-8
3-trifluoromethyl-4-chloro-toluene

Guidance literature:: NiCl₂[1,2-bis(diphenylphosphine)]; In tetrahydrofuran; at 25 ℃;
DOI:10.1016/j.tetlet.2006.03.076

Reference yield:

: 56-23-5
tetrachloromethane

: 106-43-4
para-chlorotoluene

: 13630-22-3
4-chloro-2-methyl-1-(trifluoromethyl)benzene

: 1839-92-5
2-methyl-5-chlorobenzotrifluoride

: 80245-27-8
3-trifluoromethyl-4-chloro-toluene

Guidance literature:: With hydrogen fluoride; at 105 ℃; for 12h; Product distribution; Mechanism; further aromatics;
DOI:10.1016/S0022-1139(00)82619-6