3,4,5-Trifluorobenzotrifluoride

Base Information

Chemical Name:3,4,5-Trifluorobenzotrifluoride
CAS No.:80172-04-9
Molecular Formula:C7H2 F6
Molecular Weight:200.083
Hs Code.:2903999090
European Community (EC) Number:671-447-2
DSSTox Substance ID:DTXSID60380330
Wikidata:Q72510947
Mol file:80172-04-9.mol

Synonyms:3,4,5-Trifluorobenzotrifluoride;80172-04-9;1,2,3-trifluoro-5-(trifluoromethyl)benzene;C7H2F6;SCHEMBL2005442;DTXSID60380330;3,4,.5-trifluorobenzotrifluoride;3,4,5-trifluoro-benzotrifluoride;AMY12477;MFCD00153280;AKOS015890330;DS-5212;AC-24492;CS-0121718;FT-0614141;N10402;A839860

Suppliers and Price of 3,4,5-Trifluorobenzotrifluoride

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

TRC
1,2,3-Trifluoro-5-(trifluoromethyl)benzene
500mg
$ 90.00

SynQuest Laboratories
3,4,5-Trifluorobenzotrifluoride 97%
5 g
$ 127.00

SynQuest Laboratories
3,4,5-Trifluorobenzotrifluoride 97%
25 g
$ 452.00

Oakwood
3,4,5-Trifluorobenzotrifluoride 97%
25g
$ 310.00

Oakwood
3,4,5-Trifluorobenzotrifluoride 97%
5g
$ 89.00

Oakwood
3,4,5-Trifluorobenzotrifluoride 97%
1g
$ 29.00

Matrix Scientific
3,4,5-Trifluorobenzotrifluoride 97%
5g
$ 114.00

Matrix Scientific
3,4,5-Trifluorobenzotrifluoride 97%
1g
$ 37.00

Crysdot
1,2,3-Trifluoro-5-(trifluoromethyl)benzene 98%
25g
$ 312.00

CHESS?
SG000533:1,2,3-Trifluoro-5-trifluoromethyl-benzene 97
5 g
$ 180.00

Total 36 raw suppliers

Chemical Property of 3,4,5-Trifluorobenzotrifluoride

Chemical Property:

Vapor Pressure:46.6mmHg at 25°C
Melting Point:97-98?°C(lit.)
Boiling Point:98.1°C at 760 mmHg
Flash Point:17.3°C
PSA：0.00000
Density:1.475g/cm³
LogP:3.12270
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:200.00606904
Heavy Atom Count:13
Complexity:164

Purity/Quality:

99%, ^*data from raw suppliers

1,2,3-Trifluoro-5-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1F)F)F)C(F)(F)F

Technology Process of 3,4,5-Trifluorobenzotrifluoride

There total 2 articles about 3,4,5-Trifluorobenzotrifluoride 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: 79.0%

: 2923-18-4
sodium 2,2,2-trifluoroacetate

: 143418-49-9
3,4,5-trifluorophenylboronic acid

: 80172-04-9
3,4,5-Trifluorobenzotrifluoride

Guidance literature:: With potassium fluoride; potassium phosphate; In water; N,N-dimethyl-formamide; at 20 ℃; for 48h; Irradiation; Inert atmosphere;
DOI:10.1021/acs.oprd.9b00225

Reference yield: 75.0%

: 50594-82-6
1-trifluoromethyl-3,4,5-trichlorobenzene

: 80172-04-9
3,4,5-Trifluorobenzotrifluoride

Guidance literature:: With potassium fluoride; nitrobenzene; 1,3-dimethyl-2-(N',N',N",N"-tetramethylguanidino)-4,5-dihydro-3H-imidazolium chloride; In sulfolane; at 200 - 220 ℃; for 17h; under 6750.68 Torr;

Reference yield: 91.0%

: 80172-04-9
3,4,5-Trifluorobenzotrifluoride

: 99-99-0
1-methyl-4-nitrobenzene

: (E)-N-p-tolyl-1-(3,4,5-trifluorophenyl)methanimine

Guidance literature:: With ytterbium(III) oxide; potassium fluoride; 1,1,1,2,2,2-hexamethyldisilane; sodium hydrogencarbonate; In neat (no solvent); at 20 ℃; for 1.5h; Milling;
DOI:10.1002/adsc.202100538