ChemicalBook--->CAS DataBase List--->16807-13-9

16807-13-9

16807-13-9 Structure

16807-13-9 Structure
IdentificationBack Directory
[Name]

3-Iodo-9H-carbazole
[CAS]

16807-13-9
[Synonyms]

3-Iodocarbazole
3-iodo-9H-carbzole
3-Iodocarbazole >
3-Iodo-9H-carbazole
9H-Carbazole, 3-iodo-
TIANFU-CHEM 3-Iodocarbazole-
3-Iodo-9H-carbazole ISO 9001:2015 REACH
[Molecular Formula]

C12H8IN
[MDL Number]

MFCD00267746
[MOL File]

16807-13-9.mol
[Molecular Weight]

293.103
Chemical PropertiesBack Directory
[Melting point ]

195-197℃
[Boiling point ]

430.6±18.0 °C(Predicted)
[density ]

1.854
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

16.54±0.30(Predicted)
[color ]

White to Light yellow to Light orange
[λmax]

340nm(CH3CN)(lit.)
[InChI]

InChI=1S/C12H8IN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
[InChIKey]

OYIGWMXXIFYAGD-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HS Code ]

2933.99.8290
Hazard InformationBack Directory
[Description]

3-Iodo-9H-carbazole is a chemical compound used in the research and development of organic materials for optoelectronic devices, such as OLEDs (organic light-emitting diodes). It has also been studied for its potential use in pharmaceuticals. It may cause skin and eye irritation, respiratory issues, and other health hazards if not handled properly. Therefore, it must be stored in a well-ventilated area, away from heat sources or combustible materials.
[Uses]

3-Iodo-9H-carbazole is pharmaceutical intermediates and important intermediates in the synthesis of optoelectronic materials.
[Synthesis]

A solution of 9H-carbazole (5.57g, 33.3 mmol) and KI (3.68g, 22.2 mmol) in AcOH (92 mL) was heated to 100 °C for 1 h. KI03 (3.57g, 16.7 mmol) was added in portions to the solution, and the resulting mixture was stirred for another 2 h at 100°C. The mixture was poured into water (500 mL), and the precipitation was collected by filtration and washed with hot water. Recrystallization was made in DCM to afford 6.8 g (70 percent) of product 3-Iodo-9H-carbazole as a white solid.
[References]

[1] Patent: WO2006/104221, 2006, A1. Location in patent: Page/Page column 70-71
[2] Patent: WO2007/26626, 2007, A1. Location in patent: Page/Page column 54-55
[3] Journal of Organic Chemistry, 2015, vol. 80, # 4, p. 2392 - 2396
[4] Patent: WO2014/153043, 2014, A1. Location in patent: Paragraph 0166
[5] Patent: CN103694992, 2016, B. Location in patent: Paragraph 0092-0095
Spectrum DetailBack Directory
[Spectrum Detail]

3-Iodo-9H-carbazole(16807-13-9)1HNMR
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