Hexafluoroacetylacetone - CAS 1522-22-1

Catalog:	BB010765
Product Name:	Hexafluoroacetylacetone
CAS:	1522-22-1
Synonyms:	1,1,1,5,5,5-hexafluoropentane-2,4-dione

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,1,1,5,5,5-hexafluoropentane-2,4-dione
Description:	Hexafluoroacetylacetone (CAS# 1522-22-1) is a useful research chemical.
Molecular Weight:	208.06
Molecular Formula:	C5H2F6O2
Canonical SMILES:	C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChI:	InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
InChI Key:	QAMFBRUWYYMMGJ-UHFFFAOYSA-N
Boiling Point:	70-71 ℃ (lit.)
Purity:	95 %
Density:	1.47 g/mL at 25℃(lit.)
Appearance:	Clear colorless to slightly yellow
Storage:	Flammables area
MDL:	MFCD00000426
LogP:	1.63930

Publication Number	Title	Priority Date
CN-113371759-A	Preparation method and application of amorphous transition metal oxide packaged manganese-based oxide composite material	20210813
CN-113461505-A	High-stability and volatile heteronuclear rare earth chelate as well as preparation method and application thereof	20210630
CN-113336770-A	Chiral synthesis method of dorzolamide hydrochloride	20210624
CN-113416218-A	Synthesis method and application of rare earth-nickel mixed metal molecule-based magnetic material	20210528
CN-113214193-A	Preparation method of dinotefuran	20210525

PMID	Publication Date	Title	Journal
23034569	20121118	Trinuclear Mn(II) complex with paramagnetic bridging 1,2,3-dithiazolyl ligands	Chemical communications (Cambridge, England)
22878363	20121007	Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2]	Dalton transactions (Cambridge, England : 2003)
22784369	20120806	3d4f heterobimetallic dinuclear and tetranuclear complexes involving tetrathiafulvalene as ligands: X-ray structures and magnetic and photophysical investigations	Inorganic chemistry
22662964	20120618	Condensation of a nickel tetranuclear cubane into a heptanuclear single-molecule magnet	Inorganic chemistry
22549920	20120604	N-Heterocyclic tridentate aromatic ligands bound to [Ln(hexafluoroacetylacetonate)3] units: thermodynamic, structural, and luminescent properties	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.99589827
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.99589827
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2