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Sigma-Aldrich

1,3-Dibenzoylbenzene

98%

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About This Item

Linear Formula:
C6H4(COC6H5)2
CAS Number:
3770-82-9
Molecular Weight:
286.32
EC Number:
223-210-6
MDL number:
MFCD00014086
UNSPSC Code:
12352100
PubChem Substance ID:
24864420
NACRES:
NA.22

Assay

98%

form

solid

mp

105-108 °C (lit.)

SMILES string

O=C(c1ccccc1)c2cccc(c2)C(=O)c3ccccc3

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

InChI key

MJQHDSIEDGPFAM-UHFFFAOYSA-N

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.

Application

1,3-Dibenzoylbenzene ([3-(benzoyl)phenyl]-phenyl-methanone, m-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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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(3-Benzoylphenyl)(phenyl) methanone.
Raza Ahsraf A, et al.
Acta Crystallographica Section E, Structure Reports Online, 67(9), 2432-2432 (2001)
Shigeaki Nakazawa et al.
Physical chemistry chemical physics : PCCP, 13(4), 1424-1433 (2010-11-26)
Trianionic spin-quartet and tetraanionic spin-quintet molecular clusters derived from m-dibenzoylbenzene in solution were identified by CW-ESR/pulse-ESR based two-dimensional electron spin transient nutation spectroscopy, and their spin and clustering structures in the ground state were determined in terms of a D-tensor
Synthesis and characterization of ABC-type star and linear block copolymers of styrene, isoprene, and 1, 3-cyclohexadiene.
Wang X, et al.
Macromolecules, 39(20), 6898-6904 (2006)
Design, preparation, and electron spin resonance detection of a ground-state undecet (S= 5) hydrocarbon.
Fujita I, et al.
Journal of the American Chemical Society, 112(10), 4074-4075 (1990)

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