ChemicalBook--->CAS DataBase List--->3770-82-9

3770-82-9

3770-82-9 Structure

3770-82-9 Structure
IdentificationMore
[Name]

1,3-DIBENZOYLBENZENE
[CAS]

3770-82-9
[Synonyms]

1,3-DIBENZOYLBENZENE
M-DIBENZOYLBENZENE
TIMTEC-BB SBB007917
1,3-phenylenebis[phenyl-methanon
Methanone, 1,3-phenylenebis[phenyl-
3-Benzoylbenzophenone
1,3-Dibenzoylbenzene, 98+%
1,1':3',1''-Terbenzene-4,4''-dicarbaldehyde
[EINECS(EC#)]

223-210-6
[Molecular Formula]

C20H14O2
[MDL Number]

MFCD00014086
[Molecular Weight]

286.32
[MOL File]

3770-82-9.mol
Chemical PropertiesBack Directory
[Melting point ]

105-108 °C(lit.)
[Boiling point ]

467.5±28.0 °C(Predicted)
[density ]

1.165±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Sparingly Soluble (4.0E-3 g/L) (25°C).
[form ]

solid
[Appearance]

Off-white to light yellow Solid
[BRN ]

1973337
[InChI]

InChI=1S/C20H14O2/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16/h1-14H
[InChIKey]

MJQHDSIEDGPFAM-UHFFFAOYSA-N
[SMILES]

C1(C(C2=CC=CC=C2)=O)=CC=CC(C(C2=CC=CC=C2)=O)=C1
[CAS DataBase Reference]

3770-82-9(CAS DataBase Reference)
[EPA Substance Registry System]

Methanone, 1,3-phenylenebis[phenyl- (3770-82-9)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

Yes
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1,3-Dibenzoylbenzene is suitable reagent used in the synthesis of 1,3-bis(1-phenylvinyl)benzene (MDDPE). It may be used in the synthesis of polyanionic spin-quintet molecular clusters and ground state undecet hydrocarbon with 10 parallel spins.
[General Description]

1,3-Dibenzoylbenzene ([3-(benzoyl)phenyl]-phenyl-methanone, m-Dibenzoylbenzene) is a diarylketone derivative. It has topologically pseudogenerate Π-LUMO′s (lowest unoccupied molecular orbital). Its synthesis from benzene has been reported. Crystal structure studies suggest that its crystals are orthorhombic and exhibit space goup Pbca.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DIBENZOYLBENZENE(3770-82-9)1HNMR
1,3-DIBENZOYLBENZENE(3770-82-9)FT-IR
1,3-DIBENZOYLBENZENE(3770-82-9)IR
1,3-DIBENZOYLBENZENE(3770-82-9)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1,3-Dibenzoylbenzene, 98+%(3770-82-9)
[Sigma Aldrich]

3770-82-9(sigmaaldrich)
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