2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid

Base Information

Chemical Name:2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid
CAS No.:118829-14-4
Molecular Formula:C8H2 F6 O2
Molecular Weight:244.093
Hs Code.:
DSSTox Substance ID:DTXSID30558403
Wikidata:Q82440690
Mol file:118829-14-4.mol

Synonyms:2,4,5-TRIFLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID;118829-14-4;SCHEMBL7592421;DTXSID30558403;MFCD03427543;AKOS032949206;2,4,5-trifluoro-3-trifluoromethylbenzoic acid;2,4,5-trifluoro-3-(trifluoromethyl) benzoic acid

Suppliers and Price of 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid

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
2,4,5-TRIFLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID 95.00%
5MG
$ 499.82

Total 3 raw suppliers

Chemical Property of 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid

Chemical Property:

Melting Point:87-90 °C
Boiling Point:246.8±40.0 °C(Predicted)
PKA:2.44±0.10(Predicted)
PSA：37.30000
Density:1.648±0.06 g/cm3(Predicted)
LogP:2.82090
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:243.99589827
Heavy Atom Count:16
Complexity:278

Purity/Quality:

99%+ ^*data from raw suppliers

2,4,5-TRIFLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid

There total 3 articles about 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid 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: 69.0%

: 124-38-9,18923-20-1
carbon dioxide

: 118829-13-3
1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)-benzene

: 118829-14-4
2,4,5-trifluoro-3-(trifluoromethyl)benzoic acid

Guidance literature:: With n-butyllithium; trifluoroacetic acid;

Reference yield:

: 118829-12-2
3-bromo-2,5,6-trifluorobenzoic acid

: 118829-14-4
2,4,5-trifluoro-3-(trifluoromethyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / SF₆, HF (gas) / 8 h / 120 °C

2: 1.) n-BuLi / 1.) Et₂O, hexane, -78 deg C, 5 min, 2.) Et₂O, hexane, -78 deg C

With n-butyllithium; hydrogen fluoride; sulfur(VI) hexafluoride;
DOI:10.1021/jm00080a023