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1,6-Dibromopyrene

Catalog Number
ACM27973291-2
CAS Number
27973-29-1
Product Name
1,6-Dibromopyrene
Structure
Category
Small Molecule Semiconductor Building Blocks; Organic Light-Emitting Diode (OLED) Materials; Other Electronic Materials; Semiconductor Blocks
IUPAC Name
1,6-dibromopyrene
Molecular Weight
360.04g/mol
Molecular Formula
C16H8Br2
Canonical SMILES
C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
InChI
InChI=1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
InChI Key
JRCJYPMNBNNCFE-UHFFFAOYSA-N
Density
1.852 g/cm³
Application
1,6-Dibromopyrene is a vital chemical compound primarily used as an intermediate in the synthesis of perylene diimide derivative host structures, which play an essential role as discotic liquid crystal molecules. This white powder is utilized in various applications, such as an organic intermediate, in OLED materials, and as a photoelectric material. It is synthesized through the double bromination of pyrene with bromine, a process that also produces its 1,8-isomer. Additionally, 1,6-dibromopyrene is involved in the creation of bipyridine and terpyridine-based ruthenium metallosynthons, showcasing its versatility and importance in advanced material science.
Complexity
297
Covalently-Bonded Unit Count
1
Exact Mass
359.89723g/mol
Formal Charge
0
Heavy Atom Count
18
Log P
6.69 (LogP)
Monoisotopic Mass
357.89928g/mol
Rotatable Bond Count
0
XLogP3
6.4
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