1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

Base Information

Chemical Name:1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
CAS No.:22767-90-4
Molecular Formula:C8H11F3O2
Molecular Weight:196.169
Hs Code.:29147000
European Community (EC) Number:245-211-0
DSSTox Substance ID:DTXSID5066827
Nikkaji Number:J227.640B
Wikidata:Q81993402
Mol file:22767-90-4.mol

Synonyms:pivaloyltrifluoroacetone

Suppliers and Price of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

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

SynQuest Laboratories
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95%
25 g
$ 295.00

SynQuest Laboratories
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95%
5 g
$ 95.00

Sigma-Aldrich
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 98%
5ml
$ 90.20

Matrix Scientific
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95%
25g
$ 485.00

Matrix Scientific
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95%
5g
$ 135.00

Atlantic Research Chemicals
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95%
1gm:
$ 17.67

Apolloscientific
5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione 98%
5g
$ 43.00

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE 95.00%
25G
$ 1380.23

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE 95.00%
5G
$ 860.48

Alfa Aesar
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione, 95%
25g
$ 237.00

Total 36 raw suppliers

Chemical Property of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

Chemical Property:

Appearance/Colour:clear colorless to yellow liquid
Vapor Pressure:0.806mmHg at 25°C
Refractive Index:n20/D 1.407(lit.)
Boiling Point:177.5 °C at 760 mmHg
PKA:6.78±0.10(Predicted)
Flash Point:54.6 °C
PSA：34.14000
Density:1.145 g/cm³
LogP:2.12310
Storage Temp.:Flammables area
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:196.07111408
Heavy Atom Count:13
Complexity:223

Purity/Quality:

99%, ^*data from raw suppliers

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s): C,F
Hazard Codes:C,F
Statements: 10
Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)C(=O)CC(=O)C(F)(F)F
General Description 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione, also known as (trifluoroacetyl)pivaloylmethane or pivaloyltrifluoroacetone, is a fluorinated β-diketone characterized by its trifluoromethyl and tert-butyl substituents. 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE exhibits strong electron-withdrawing properties due to the trifluoromethyl group, enhancing its acidity and chelating ability, particularly for metal ions. The steric hindrance from the bulky tert-butyl group influences its reactivity and coordination behavior, making it useful in coordination chemistry and as a ligand for metal extraction or catalysis. Its unique structure also contributes to its stability and potential applications in organic synthesis and material science.

Technology Process of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

There total 3 articles about 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 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: