2,6-Bis(trifluoromethyl)benzoic acid

Base Information

Chemical Name:2,6-Bis(trifluoromethyl)benzoic acid
CAS No.:24821-22-5
Molecular Formula:C9H4 F6 O2
Molecular Weight:258.12
Hs Code.:2916399090
European Community (EC) Number:246-479-1
UNII:3VW9D8KD6R
DSSTox Substance ID:DTXSID40179522
Nikkaji Number:J267.226J
Wikidata:Q72447186
Mol file:24821-22-5.mol

Synonyms:2,6-Bis(trifluoromethyl)benzoic acid;24821-22-5;Benzoic acid, 2,6-bis(trifluoromethyl)-;2,6-bis-trifluoromethylbenzoic acid;2,6-di(Trifluoromethyl)benzoic acid;MFCD00000376;3VW9D8KD6R;EINECS 246-479-1;2,6-Bis-trifluoromethyl-benzoic acid;UNII-3VW9D8KD6R;SCHEMBL504216;DTXSID40179522;BBL102248;CK2214;STL556047;AKOS015852700;AC-3899;CS-W010161;PS-11115;2,6-Bis(trifluoromethyl)benzoic acid, 98%;FT-0610519;A19959;EN300-1706142;J-015688;Z276573120

Suppliers and Price of 2,6-Bis(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

TRC
2,6-Bis(trifluoromethyl)benzoic acid
25g
$ 550.00

TRC
2,6-Bis(trifluoromethyl)benzoic acid
2.5g
$ 120.00

SynChem
2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID 95%
1 g
$ 19.00

Sigma-Aldrich
2,6-Bis(trifluoromethyl)benzoic acid 98%
5g
$ 110.00

Sigma-Aldrich
2,6-Bis(trifluoromethyl)benzoic acid 98%
1g
$ 31.50

Medical Isotopes, Inc.
2,6-Bis(trifluoromethyl)benzoic acid
10 g
$ 750.00

Matrix Scientific
2,6-Bis(trifluoromethyl)benzoic acid 98%
5g
$ 89.00

Matrix Scientific
2,6-Bis(trifluoromethyl)benzoic acid 98%
1g
$ 28.00

Frontier Specialty Chemicals
2,6-Bis(trifluoromethyl)benzoic acid 98%
1g
$ 30.00

Frontier Specialty Chemicals
2,6-Bis(trifluoromethyl)benzoic acid 98%
5g
$ 106.00

Total 47 raw suppliers

Chemical Property of 2,6-Bis(trifluoromethyl)benzoic acid

Chemical Property:

Appearance/Colour:white crystalline powder
Vapor Pressure:0.069mmHg at 25°C
Melting Point:138-140oC(lit.)
Boiling Point:220℃
PKA:2.27±0.50(Predicted)
Flash Point:87℃
PSA：37.30000
Density:1.527
LogP:3.42240
Water Solubility.:Soluble in water.
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:258.01154834
Heavy Atom Count:17
Complexity:273

Purity/Quality:

97% ^*data from raw suppliers

2,6-Bis(trifluoromethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F
Uses 2,6-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 2,6-Bis(trifluoromethyl)benzoic acid has also been identified as a chemical hybridizing agent in wheat.

Technology Process of 2,6-Bis(trifluoromethyl)benzoic acid

There total 6 articles about 2,6-Bis(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: 94.0%

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

: 402-31-3
1,3-bis(trifluoromethyl)benzene

: 24821-22-5
2,6-bis(trifluoromethyl)benzoic acid

Guidance literature:: With potassium tert-butylate; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -75 ℃; for 2h;
DOI:10.1002/(SICI)1521-3765(19980710)4:7<1281::AID-CHEM1281>3.0.CO;2-I

Reference yield:

: 42175-48-4
1,2,3-Tris-(trifluormethyl)-benzol

: 24821-22-5
2,6-bis(trifluoromethyl)benzoic acid

Guidance literature:: With antimony pentafluoride;

Reference yield:

: 569-51-7
benzene-1,2,3-tricarboxlic acid

: 42175-48-4
1,2,3-Tris-(trifluormethyl)-benzol

: 24821-22-5
2,6-bis(trifluoromethyl)benzoic acid

: 1,1,3,3-Tetrafluoro-4-trifluoromethyl-1,3-dihydroisobenzofuran

Guidance literature:: With potassium hydroxide; sulfur tetrafluoride; hydrogen fluoride; Yield given. Multistep reaction. Yields of byproduct given; 1.) 80 deg C, 20 h; 180 deg C, 20 h, 2.) 100 deg C, 48 h;
DOI:10.1016/S0022-1139(96)03541-5