| Identification | Back Directory | [Name]
4-Bromo-4',4''-dimethyltriphenylamine | [CAS]
58047-42-0 | [Synonyms]
BDMTPA
4-broMo -4',4''- twoMe
4-Bromo-N,N-di-p-tolylaniline
Di-p-tolyl-p-bromophenylamine
4-Bromo-N,N-dip-tolylbenzenamine
(4-Bromo-phenyl)-di-p-tolyl-amine
4-Bromo-N,N-dip-tolylbenzenamine ,97%
4-BROMO-4'',4''-DIMETHYLTRIPHENYLAMINE
4-broMo -4',4''- twoMethyl threeaniline
4-Bromo-4',4''-dimethyltriphenylamine >
4-Bromo-N,N-bis(4-methylphenyl)benzenamine
Benzenamine,4-bromo-N,N-bis(4-methylphenyl)-
4-BROMO-4'',4''-DIMETHYLTRIPHENYLAMINE,95.0+%(GC)
N-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)aniline | [Molecular Formula]
C20H18BrN | [MDL Number]
MFCD03093258 | [MOL File]
58047-42-0.mol | [Molecular Weight]
352.27 |
| Chemical Properties | Back Directory | [Melting point ]
102 °C | [Boiling point ]
459.9±45.0 °C(Predicted) | [density ]
1.307±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-2.82±0.50(Predicted) | [color ]
White to Orange to Green | [InChI]
1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3 | [InChIKey]
YMNJJMJHTXGFOR-UHFFFAOYSA-N | [SMILES]
Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(Br)cc3 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
26 | [WGK Germany ]
3 | [HS Code ]
29214200 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Synthesis]
General procedure for the synthesis of 4-bromo-4',4''-dimethyltriphenylamine from 4,4'-dimethyltriphenylamine: 4,4'-dimethyltriphenylamine (10 g, 36.6 mmol) was dissolved in dichloromethane (200 mL) at room temperature, followed by the addition of N-bromosuccinimide (NBS) (6.764 g, 38 mmol). The reaction mixture was stirred for about 3 hours. Upon completion of the reaction, the solid insoluble material was removed by filtration and the filtrate was purified by passing through a silica gel column and subjected to fast column chromatography using a gradient elution (hexane to hexane/dichloromethane = 4:1). The fraction containing the target product was collected and concentrated under reduced pressure to remove the solvent to afford the white solid product 4-bromo-4',4''-dimethyltriphenylamine (compound 25) (12.86 g, 99.7% yield). | [References]
[1] Patent: US9172051, 2015, B2. Location in patent: Page/Page column 97; 98; 101; 102
[2] Patent: JP5966736, 2016, B2. Location in patent: Paragraph 0075; 0079
[3] Patent: WO2013/8951, 2013, A1. Location in patent: Page/Page column 31 |
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