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16807-11-7

16807-11-7 Structure

16807-11-7 Structure
IdentificationBack Directory
[Name]

1-broMo-9H-carbazole
[CAS]

16807-11-7
[Synonyms]

1-broMocarbazole
-broMo-9H-carbazole
1-bromo-9H-carbozle
-broMo-9H-carbazole
1-Bromocarbazole >
1-broMo-9H-carbazole
9H-Carbazole, 1-broMo-
[Molecular Formula]

C12H8BrN
[MDL Number]

MFCD18450164
[MOL File]

16807-11-7.mol
[Molecular Weight]

246.103
Chemical PropertiesBack Directory
[Melting point ]

123-124℃ (acetic acid )
[Boiling point ]

409.2±18.0 °C(Predicted)
[density ]

1.617±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

16.14±0.30(Predicted)
[color ]

White to Light yellow
[InChI]

InChI=1S/C12H8BrN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14H
[InChIKey]

VCDOOGZTWDOHEB-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)C2=C1C(Br)=CC=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

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

2933998090
Hazard InformationBack Directory
[Chemical Properties]

White to yellow powder or crystals.
[Uses]

1-Bromo-9H-carbazole is a useful research chemical.
[Application]

1-Bromocarbazole is mainly used as pharmaceutical intermediates and organic synthesis intermediates.
[Definition]

1-Bromo-9H-carbazole is a bromide-substitution of carbazole. The carbazole ring system is essentially planar (r.m.s. deviation of 0.024?? for the non-H atoms). It is a photoelectric material intermediate and be used to synthesize OLED materials.
[Preparation]

synthesis of 1-bromocarbazole: 3,6-bis(tert-butyl)carbazole is used as an initial raw material, and a bromination reaction is carried out for synthesis of 1-bromine-3,6-bis(tert-butyl)carbazole; t butyl is removed in a condition with aluminium chloride and isopropanol; alkali treatment and purification are carried out for synthesizing 1-bromocarbazole. The method has the advantages of few side reactions in a reaction process, easy operation and high yield. 1-bromocarbazole can be used in the fields of organic photoelectric materials, medicine, and the like, and is an important intermediate of carbazoles photoelectric materials, medicines and pesticides.
Production method of 1-bromocarbazole
[Synthesis]

In an air atmosphere, add iron trifluoromethanesulfonate (2mol%, 1.8mg), carbazole (0.2mmol, 33.4mg), NBS (0.22mmol, 39.2mg) and a magnetic stirrer into a 35mL glass pressure tube middle. Then toluene (10 mL) was added, and the reaction tube was reacted at room temperature for 30 min. After the reaction was completed, 10 mL of water was added, extracted with 30 mL of dichloromethane, the organic phase was collected, and the organic phase was dried with anhydrous sodium sulfate. The organic layer was analyzed by gas chromatography, and the yield of 1-Bromo-9H-carbazole was calculated to be 95%.
16807-11-7.png
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromo-9H-carbazole(16807-11-7)1HNMR
1-Bromo-9H-carbazole(16807-11-7)FT-IR
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