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2-bromo-dibenzothiophene

Catalog Number
ACM22439618-1
CAS Number
22439-61-8
Product Name
2-bromo-dibenzothiophene
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2-bromodibenzothiophene
Molecular Weight
263.15g/mol
Molecular Formula
C12H7BrS
Canonical SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
InChI
InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChI Key
IJICRIUYZZESMW-UHFFFAOYSA-N
Application
2-Bromo-dibenzothiophene serves primarily as a versatile intermediate in the synthesis of organic semiconductor molecules, essential for the development of devices used in organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), and organic photovoltaic cells (OPVs). Beyond its role in the electronic materials sector, it is also valuable as a raw material and a pharmaceutical intermediate in drug discovery and industrial synthesis. For instance, it facilitates the creation of new N-substituted dibenzothiophene derivatives through conjugation with primary or secondary amines.
Complexity
218
Covalently-Bonded Unit Count
1
Exact Mass
261.94518g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
261.94518g/mol
NSC Number
172586
Rotatable Bond Count
0
XLogP3
5.1
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