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1467-40-9

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1467-40-9 Structure

1467-40-9 Structure
IdentificationBack Directory
[Name]

1,5-DIPHENYL-1,3,5-PENTANETRIONE
[CAS]

1467-40-9
[Synonyms]

NSC 154656
NSC 631644
1,3-DIBENZOYLACETONE
5-pentanetrione,1,5-diphenyl-3
1,5-DIPHENYL-1,3,5-PENTANETRIONE
1,3,5-Pentanetrione,1,5-diphenyl-
1,5-di(phenyl)pentane-1,3,5-trione
1,5-Diphenyl-1,3,5-pentanetrione >=98.0% (T)
[Molecular Formula]

C17H14O3
[MDL Number]

MFCD00042664
[MOL File]

1467-40-9.mol
[Molecular Weight]

266.29
Chemical PropertiesBack Directory
[Melting point ]

107-109 °C
[Boiling point ]

422.7±20.0 °C(Predicted)
[density ]

1.172
[pka]

7.78±0.23(Predicted)
[BRN ]

2054189
[InChI]

1S/C17H14O3/c18-15(11-16(19)13-7-3-1-4-8-13)12-17(20)14-9-5-2-6-10-14/h1-10H,11-12H2
[InChIKey]

MUNGMRPYTCHBFX-UHFFFAOYSA-N
[SMILES]

O=C(CC(=O)c1ccccc1)CC(=O)c2ccccc2
[EPA Substance Registry System]

1,3,5-Pentanetrione, 1,5-diphenyl- (1467-40-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1,5-Diphenyl-1,3,5-pentanetrione (H2DBA, DBAc) is a symmetrical triketone.1,3,5-triketones are potential tridentate ligands and forms complexes with transition metals, lanthanides and actinides. It acts as ligand and forms binuclear cobalt complex with CoCl2.6H2O. The interaction of two intramolecular hydrogen bonds in 1,5-diphenyl-1,3,5-pentanetrione has been studied. H2DBA can be synthesized by condensation reaction between ethyl benzoate and benzoyl acetone. DBAc arranged in stretched polyethylene (PE) sheets has been investigated by infrared linear dichroism (LD) spectroscopy.
[General Description]

1,5-Diphenyl-1,3,5-pentanetrione (H2DBA, DBAc) is a symmetrical triketone.1,3,5-triketones are potential tridentate ligands and forms complexes with transition metals, lanthanides and actinides. It acts as ligand and forms binuclear cobalt complex with CoCl2.6H2O. The interaction of two intramolecular hydrogen bonds in 1,5-diphenyl-1,3,5-pentanetrione has been studied. H2DBA can be synthesized by condensation reaction between ethyl benzoate and benzoyl acetone. DBAc arranged in stretched polyethylene (PE) sheets has been investigated by infrared linear dichroism (LD) spectroscopy.
Spectrum DetailBack Directory
[Spectrum Detail]

1,5-DIPHENYL-1,3,5-PENTANETRIONE(1467-40-9)MS
1,5-DIPHENYL-1,3,5-PENTANETRIONE(1467-40-9)IR1
1,5-DIPHENYL-1,3,5-PENTANETRIONE(1467-40-9)IR2
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