ChemicalBook--->CAS DataBase List--->78600-31-4

78600-31-4

78600-31-4 Structure

78600-31-4 Structure
IdentificationBack Directory
[Name]

2-BroMo TriphenylaMine
[CAS]

78600-31-4
[Synonyms]

2-BTPA
2-Bromophenyldipheny
2-BroMo TriphenylaMine
2-Bromotriphenylamine >
2-Bromophenyldiphenylamine
o-Bromophenyldiphenylamine
2-BroMo-N,N-diphenylaniline
9-(2-broMophenyl) Carbazole
2-bromo-N,N-diphenylbenzenamine
Benzenamine, 2-bromo-N,N-diphenyl-
N-(2-bromophenyl)-N-phenylbenzenamine
[Molecular Formula]

C18H14BrN
[MDL Number]

MFCD23115676
[MOL File]

78600-31-4.mol
[Molecular Weight]

324.214
Chemical PropertiesBack Directory
[Melting point ]

61.0 to 65.0 °C
[Boiling point ]

165°C/0.3mmHg(lit.)
[density ]

1.369
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Toluene
[form ]

powder to crystal
[pka]

-3.76±0.18(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
[InChIKey]

YPIANBZIVBPMJS-UHFFFAOYSA-N
[SMILES]

C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1Br
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 ]

2921.49.5000
Hazard InformationBack Directory
[Uses]

2-Bromo-N,N-diphenylaniline, used in electronic chemicals, is also utilized in the production of OLED display screens.
[Synthesis]

Diphenylamine (1.6900 g, 10.0 mmol), o-dibromobenzene (2.40 mL, 20.0 mmol), copper iodide (0.1900 g, 1.0 mmol), 18-crown-6 (0.1320 g, 0.5 mmol), and 60 mL of o-dichlorobenzene were sequentially added to the reaction flask. Under nitrogen protection and dark conditions, stir and heat to 100-210°C for 5-100 hours. Stop the reaction and slowly reduce to room temperature, vacuum distillation of most of the solvent, and suction filtration; the solid residue is washed with dichloromethane solution, and the organic phases are combined. Concentration and column chromatography gave 2-Bromo-N, N-diphenylamine (yield: 73 per cent).
[References]

[1] Patent: KR101897045, 2018, B1. Location in patent: Paragraph 0145; 0148-0151
[2] Patent: KR2015/55725, 2015, A. Location in patent: Paragraph 0132; 0133; 0134
[3] Patent: KR2015/51662, 2015, A. Location in patent: Paragraph 0174-0176
[4] Patent: KR2015/55769, 2015, A. Location in patent: Paragraph 0134-0136
[5] Tetrahedron, 2015, vol. 71, # 9, p. 1395 - 1402
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-N,N-diphenylaniline(78600-31-4)1HNMR
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