392057
1,3-Dibenzoylbenzene
98%
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About This Item
Linear Formula:
C6H4(COC6H5)2
CAS Number:
Molecular Weight:
286.32
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
223-210-6
MDL number:
Assay:
98%
Form:
solid
assay
98%
form
solid
mp
105-108 °C (lit.)
functional group
ketone, phenyl
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 392057-5G | 04061831820072 |