1,1,1-Trifluoro-2,4-pentanedione - CAS 367-57-7

Name: 1,1,1-Trifluoro-2,4-pentanedione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,1,1-trifluoropentane-2,4-dione
Description:	1,1,1-Trifluoro-2,4-pentanedione (CAS# 367-57-7) is used as a ligand in the electrochemical parametrization of metal complex redox potentials and the generation of a ligand electrochemical series.
Molecular Weight:	154.09
Molecular Formula:	C5H5F3O2
Canonical SMILES:	CC(=O)CC(=O)C(F)(F)F
InChI:	InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChI Key:	SHXHPUAKLCCLDV-UHFFFAOYSA-N
Boiling Point:	105-107 °C
Purity:	97 %
Density:	1.27 g/cm³
Appearance:	Clear light yellow to orange liquid
Storage:	Flammables area
MDL:	MFCD00000427
LogP:	1.09690

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22695733	20120815	Multi-walled carbon nanotube-based ternary rare earth (Eu3+, Tb3+) hybrid materials with organically modified silica-oxygen bridge	Journal of colloid and interface science
22219853	20111101	fac-Tricarbon-yl(pyridine-κN)(1,1,1-trifluoro-acetyl-acetonato-κO,O')rhenium(I)	Acta crystallographica. Section E, Structure reports online
21739493	20110808	Lanthanide ion extraction by trifluoromethyl-1,3-diketonate-functionalised ionic liquids adsorbed on silica	Chemistry (Weinheim an der Bergstrasse, Germany)
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19603467	20090830	Blood volume and red cell mass in children with moderate and severe malaria measured by chromium-53 dilution and gas chromatography/mass spectrometric analysis	Rapid communications in mass spectrometry : RCM

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.02416388
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.02416388
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9