1,3-Dimethyl-5-(trifluoromethyl)benzene

Base Information

Chemical Name:1,3-Dimethyl-5-(trifluoromethyl)benzene
CAS No.:86845-29-6
Molecular Formula:C9H9F3
Molecular Weight:174.166
Hs Code.:
DSSTox Substance ID:DTXSID80607051
Nikkaji Number:J1.855.037G
Wikidata:Q82505986

Synonyms:3,5-Dimethylbenzotrifluoride;86845-29-6;1,3-dimethyl-5-(trifluoromethyl)benzene;Benzene, 1,3-dimethyl-5-(trifluoromethyl)-;5-(Trifluoromethyl)-m-xylene;5-trifluoromethyl-m-xylene;5-(Trifluoromethvl)-m-xylene;SCHEMBL130017;DTXSID80607051;JGUDBRONYAAYSL-UHFFFAOYSA-N;MFCD12026302;AKOS005258032;FS-5049;CS-0330779;G74758

Suppliers and Price of 1,3-Dimethyl-5-(trifluoromethyl)benzene

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

Total 5 raw suppliers

Chemical Property of 1,3-Dimethyl-5-(trifluoromethyl)benzene

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:174.06563477
Heavy Atom Count:12
Complexity:140

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dimethyl-5-(trifluoromethyl)benzene

There total 13 articles about 1,3-Dimethyl-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: 83.0%

: 22445-41-6
3,5-dimethylphenyl iodide

: 1,10-phenanthroline trifluoroacetic acid cuprous (I)

: 86845-29-6
1,3-dimethyl-5-trifluoromethylbenzene

Guidance literature:: With sodium fluoride; In N,N-dimethyl-formamide; at 140 ℃; for 8h; Inert atmosphere; Sealed tube;
DOI:10.1002/chem.201504306

Reference yield: 76.0%

: 22445-41-6
3,5-dimethylphenyl iodide

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 86845-29-6
1,3-dimethyl-5-trifluoromethylbenzene

Guidance literature:: With copper(l) iodide; silver fluoride; sodium t-butanolate; N,N`-dimethylethylenediamine; In 1-methyl-pyrrolidin-2-one; at 20 - 90 ℃; for 5.5h; Inert atmosphere;
DOI:10.1021/om200204y

Reference yield:

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 108-38-3,104809-90-7
m-xylene

: 41818-96-6
1,3-dimethyl-2-(trifluoromethyl)benzene

: 93841-19-1
2,4-dimethyl-1-(trifluoromethyl)benzene

: 86845-29-6
1,3-dimethyl-5-trifluoromethylbenzene

Guidance literature:: With potassium fluoride; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 85 ℃; for 24h; Inert atmosphere; Darkness;
DOI:10.1021/ol202174a