CAS No.57102-42-8,(9-(4-BROMOPHENYL))-9H-CARBAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57102-42-8
Name:	(9-(4-BROMOPHENYL))-9H-CARBAZOLE
Article Data:	192

Formula:	C₁₈H₁₂BrN
Molecular Weight:	322.204
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;
EINECS:	805-754-1
Density:	1.391 g/cm³
Melting Point:	147-151℃
Boiling Point:	452.672 °C at 760 mmHg
Flash Point:	227.568 °C
Solubility:	Slightly soluble in water.
PSA:	4.93000
LogP:	5.54620

Synthetic route

: 589-87-7
1,4-bromoiodobenzene

: 86-74-8
9H-carbazole

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

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%

: 189999-35-7
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate

: 106-40-1
4-bromo-aniline

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

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;

: 86-74-8
9H-carbazole

: 589-21-9
(4-bromophenyl)hydrazine

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

Conditions	Yield
With palladium diacetate; cesium fluoride In acetonitrile at 60℃; for 12h; Schlenk technique;	96%

: 86-74-8
9H-carbazole

: 460-00-4
1-Bromo-4-fluorobenzene

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

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%

: 603-34-9
N,N-diphenylaminobenzene

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

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

: 106-37-6
1.4-dibromobenzene

: 86-74-8
9H-carbazole

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

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%

: 589-87-7
1,4-bromoiodobenzene

: 86-74-8
9H-carbazole

A: 57102-42-8
N-(4-bromophenyl)carbazole

B: 19287-68-4
9-(4-(9H-carbazol-9-yl)phenyl)-9H-carbazole

Conditions

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%

...Expand

: 2101-88-4
1-azido-4-bromobenzene

: 4688-76-0
2-Biphenylboronic acid

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver(I) acetate; sodium carbonate In 1,4-dioxane at 80℃; for 12h; Schlenk technique;	70%

: 2113-51-1
2-iodobiphenyl

: 106-40-1
4-bromo-aniline

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

Conditions	Yield
With copper diacetate; palladium diacetate; caesium carbonate; triphenylphosphine In N,N-dimethyl-formamide at 120℃; for 12h; Sealed tube;	48%

N-N'-dimetylpropyleneurea: N-N'-dimetylpropyleneurea

: 106-37-6
1.4-dibromobenzene

: 7681-65-4
copper(I) iodide

: 86-74-8
9H-carbazole

: 57102-42-8
N-(4-bromophenyl)carbazole

Conditions

Conditions	Yield
With potassium carbonate; 18-crown-6 ether	35%

...Expand

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Specification

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