CAS 669773-34-6 4,6-Dibromodibenzothiophene - Materials / Alfa Chemistry

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4,6-Dibromodibenzothiophene

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Catalog Number

ACM669773346-1

CAS Number

669773-34-6

Product Name

4,6-Dibromodibenzothiophene

Structure

Category

Organic Light-Emitting Diode (OLED) Materials; Semiconductor Blocks

Synonyms

4,6-Dibromodibenzo[b,d]thiophene; Dibenzothiophene, 4,6-dibromo-

IUPAC Name

4,6-dibromodibenzothiophene

Molecular Weight

342.05

Molecular Formula

C12H6Br2S

Canonical SMILES

C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br

InChI

ULGFJZPCGNTWFK-UHFFFAOYSA-N

InChI Key

InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H

Boiling Point

436.5±25.0 °C(Predicted)

Melting Point

184-188 °C

Purity

98%

Density

1.905±0.06 g/cm3(Predicted)

Appearance

White powder

Complexity

222

Covalently-Bonded Unit Count

Exact Mass

341.85365g/mol

Formal Charge

Heavy Atom Count

Isomeric SMILES

C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br

Monoisotopic Mass

339.8557g/mol

Rotatable Bond Count

XLogP3

5.7

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