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94994-62-4

94994-62-4 Structure

94994-62-4 Structure
IdentificationBack Directory
[Name]

2-Bromo-9-phenyl-9H-carbazole
[CAS]

94994-62-4
[Synonyms]

2-Brom-xanthen-9-on
2-Bromo-9-phenylcarbazole
2-BroMo-N-phenylcarbazole
Phenyl-2-bromo-N- carbazole
Carbazole, 2-bromo-9-phenyl-
2-Bromo-9-phenyl-9H-carbazol
2-Bromo-9-phenylcarbazole >
2-Bromo-9-phenyl-9H-carbazole
9-(phenyl)-2-bromo-9H-carbazole
2-broMine-9-phenyl-9H-carbazole
9H-Carbazole, 2-broMo-9-phenyl-
2-broMo-9-phenyl-9H-carbazole (2BPC)
2-Bromo-9-phenyl-9H-carbazole ISO 9001:2015 REACH
[Molecular Formula]

C18H12BrN
[MDL Number]

MFCD24387061
[MOL File]

94994-62-4.mol
[Molecular Weight]

322.199
Chemical PropertiesBack Directory
[Melting point ]

88.0 to 92.0 °C
[Boiling point ]

461.7±27.0 °C(Predicted)
[density ]

1.39
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

InChI=1S/C18H12BrN/c19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12H
[InChIKey]

SOODLDGRGXOSTA-UHFFFAOYSA-N
[SMILES]

N1(C2=CC=CC=C2)C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[HS Code ]

2933.99.8290
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Uses]

2-Bromo-9-phenyl-9H-carbazole is used as a reactant for the preparation of OLED screens and electronic devices.
[Synthesis]

2-BROMOCARBAZOLE

3652-90-2

Iodobenzene

591-50-4

2-Bromo-9-phenyl-9H-carbazole

94994-62-4

2-Bromocarbazole (10 mmol), iodobenzene (20 mmol), potassium carbonate (20 mmol), L-proline (2 mmol), copper(I) iodide (1 mmol), and dimethyl sulfoxide (25 mL) were added to the pressure vessel. After evacuation and replacement with nitrogen three times, the vessel was sealed and the reaction was stirred at 90°C for 72 hours. After completion of the reaction, it was cooled to room temperature, the reaction mixture was diluted with dichloromethane (200 mL), washed four times sequentially with water (200 mL) and the organic phase was dried with anhydrous magnesium sulfate. After concentration under reduced pressure to remove the solvent, the crude product was purified by silica gel column chromatography using hexane as eluent to give 2-bromo-9-phenyl-9H-carbazole in 85% yield.

[References]

[1] Patent: WO2013/122402, 2013, A1. Location in patent: Paragraph 196; 201; 202
[2] Patent: WO2013/162284, 2013, A1. Location in patent: Paragraph 164; 165
[3] Journal of Materials Chemistry, 2012, vol. 22, # 1, p. 215 - 224
[4] Patent: WO2015/99484, 2015, A1. Location in patent: Paragraph 181-182
[5] Patent: WO2014/3440, 2014, A1. Location in patent: Paragraph 172; 173; 178; 179
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-9-phenyl-9H-carbazole(94994-62-4)1HNMR
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