1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione - CAS 22767-90-4
Catalog: |
BB017742 |
Product Name: |
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione |
CAS: |
22767-90-4 |
Synonyms: |
1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione |
IUPAC Name: | 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione |
Description: | 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (CAS# 22767-90-4 ) is a useful research chemical. |
Molecular Weight: | 196.17 |
Molecular Formula: | C8H11F3O2 |
Canonical SMILES: | CC(C)(C)C(=O)CC(=O)C(F)(F)F |
InChI: | InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3 |
InChI Key: | BVPKYBMUQDZTJH-UHFFFAOYSA-N |
Boiling Point: | 138-141 °C (lit.) |
Density: | 1.129 g/mL at 25 °C(lit.) |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00040841 |
LogP: | 2.12310 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21807220 | 20110915 | Selective separation of samarium(III) by synergistic extraction with β-diketone and methylphenylphenanthroline carboxamide | Talanta |
21556751 | 20110701 | Lanthanide-based time-resolved luminescence immunoassays | Analytical and bioanalytical chemistry |
21530778 | 20110530 | Effect of substituent of β-diketones on the synergistic extraction of lanthanoids with linear polyether | Talanta |
21079350 | 20100101 | Several factors influencing the stability of extracted species in synergistic extraction of lanthanide(III) with pivaloyltrifluoroacetone and 2,2'-bipyridyl | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
21578199 | 20091031 | Bis[μ-pentane-2,4-dionato(1-)]bis-{aqua-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)]cobalt(II)} | Acta crystallographica. Section E, Structure reports online |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07111408 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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