Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
9-(4-Bromophenyl)carbazole |
EINECS | 805-754-1 |
CAS No. | 57102-42-8 | Density | 1.391 g/cm3 |
PSA | 4.93000 | LogP | 5.54620 |
Solubility | Slightly soluble in water. | Melting Point |
147-151℃ |
Formula | C18H12BrN | Boiling Point | 452.672 °C at 760 mmHg |
Molecular Weight | 322.204 | Flash Point | 227.568 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbazole,9-(p-bromophenyl)- (6CI);1-(9-N-Carbazolyl)-4-bromobenzene;1-Bromo-4-(carbazol-9-yl)benzene;9-(4-Bromophenyl)-9H-carbazole;N-(4-Bromophenyl)-9H-carbazole;N-(4-Bromophenyl)carbazole; |
Article Data | 192 |
Conditions | Yield |
---|---|
With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide In 1,2-dimethoxyethane; water at 95℃; for 20h; Catalytic behavior; Solvent; Schlenk technique; Inert atmosphere; Sealed tube; | 99% |
With copper; potassium carbonate In N,N-dimethyl acetamide at 180℃; for 40h; Schlenk technique; Inert atmosphere; | 99% |
With copper; potassium carbonate In N,N-dimethyl-formamide at 130℃; for 42h; Inert atmosphere; | 96% |
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate
4-bromo-aniline
N-(4-bromophenyl)carbazole
Conditions | Yield |
---|---|
With copper diacetate; sodium carbonate In ethylene glycol; isopropyl alcohol at 90℃; for 16h; | 98.46% |
With copper diacetate; sodium carbonate; ethylene glycol In isopropyl alcohol at 85℃; for 16h; Ullmann Condensation; Inert atmosphere; | 65% |
With copper diacetate; sodium carbonate In ethylene glycol; isopropyl alcohol for 16h; Inert atmosphere; Reflux; Green chemistry; |
Conditions | Yield |
---|---|
With palladium diacetate; cesium fluoride In acetonitrile at 60℃; for 12h; Schlenk technique; | 96% |
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 150℃; for 24h; | 95% |
With potassium phosphate In N,N-dimethyl-formamide at 190℃; for 1h; Microwave irradiation; | 91% |
With caesium carbonate In dimethyl sulfoxide at 160℃; for 48h; Inert atmosphere; | 80% |
With potassium fluoride; 18-crown-6 ether In dimethyl sulfoxide for 24h; Reflux; | 68.3% |
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; | 66% |
N,N-diphenylaminobenzene
N-(4-bromophenyl)carbazole
Conditions | Yield |
---|---|
With N-Bromosuccinimide In chloroform at 20℃; for 24h; | 91% |
Multi-step reaction with 2 steps 1: N-Bromosuccinimide / N,N-dimethyl-formamide / 16 h / 0 °C / Inert atmosphere 2: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tetrakis(acetonitrile)copper(I)tetrafluoroborate; 2.9-dimethyl-1,10-phenanthroline; iodine; methyloxirane / tetrahydrofuran / 21 h / 21 °C / Flow reactor; Irradiation View Scheme |
Conditions | Yield |
---|---|
With copper(l) iodide; potassium carbonate; L-proline In dimethyl sulfoxide at 140℃; Ullmann reaction; Inert atmosphere; | 85% |
With copper; potassium carbonate; nitrobenzene at 120 - 160℃; Inert atmosphere; | 85% |
With potassium phosphate; copper(l) iodide; trans-1,2-Diaminocyclohexane In toluene at 110℃; for 24h; Inert atmosphere; sealed tube; | 83% |
1,4-bromoiodobenzene
9H-carbazole
A
N-(4-bromophenyl)carbazole
B
9-(4-(9H-carbazol-9-yl)phenyl)-9H-carbazole
Conditions | Yield |
---|---|
With copper; potassium carbonate In Triethylene glycol dimethyl ether at 180 - 200℃; for 24h; Ullmann condensation; | A 71% B 28% |
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tri-tert-butyl phosphine; sodium t-butanolate In toluene at 111℃; for 26h; Schlenk technique; Inert atmosphere; chemoselective reaction; | A 49% B 13% |
Conditions | Yield |
---|---|
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver(I) acetate; sodium carbonate In 1,4-dioxane at 80℃; for 12h; Schlenk technique; | 70% |
Conditions | Yield |
---|---|
With copper diacetate; palladium diacetate; caesium carbonate; triphenylphosphine In N,N-dimethyl-formamide at 120℃; for 12h; Sealed tube; | 48% |
1.4-dibromobenzene
copper(I) iodide
9H-carbazole
N-(4-bromophenyl)carbazole
Conditions | Yield |
---|---|
With potassium carbonate; 18-crown-6 ether | 35% |
The 9-(4-Bromophenyl)carbazole, with the CAS registry number 57102-42-8, is also known as N-(4-bromophenyl)carbazole. This chemical's molecular formula is C18H12BrN and formula weight is 322.20. What's more, both its IUPAC name and systematic name are the same which is called 9-(4-Bromophenyl)carbazole.
Physical properties about this chemical are: (1)ACD/LogP: 6.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.97; (4)ACD/LogD (pH 7.4): 6.97; (5)ACD/BCF (pH 5.5): 116447.37; (6)ACD/BCF (pH 7.4): 116447.37; (7)ACD/KOC (pH 5.5): 147202.06; (8)ACD/KOC (pH 7.4): 147202.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 86.81 cm3; (14)Molar Volume: 231.6 cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 227.6 °C; (18)Enthalpy of Vaporization: 71.19 kJ/mol; (19)Boiling Point: 452.7 °C at 760 mmHg; (20)Vapour Pressure: 2.2E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br
(2)InChI: InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
(3)InChIKey: XSDKKRKTDZMKCH-UHFFFAOYSA-N