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4,4'-Dibromotriphenylamine

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Name

4,4'-Dibromotriphenylamine

EINECS N/A
CAS No. 81090-53-1 Density 1.594 g/cm3
PSA 3.24000 LogP 6.68140
Solubility N/A Melting Point 69 °C
Formula C18H13Br2N Boiling Point 470.728 °C at 760 mmHg
Molecular Weight 403.116 Flash Point 238.488 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-43-22
Molecular Structure Molecular Structure of 81090-53-1 (4,4'-DIBROMOTRIPHENYLAMINE) Hazard Symbols HarmfulXn
Synonyms

4,4'-Dibromotriphenylamine;N,N-Bis(4-bromophenyl)aniline;N,N-Diphenyl-4,4'-dibromoaniline;N-Phenyl-N-(4-bromophenyl)-4-bromobenzeneamine;

Article Data 32

4,4'-Dibromotriphenylamine Specification

The Benzenamine,4-bromo-N-(4-bromophenyl)-N-phenyl-, with the CAS registry number 81090-53-1, is also known as N,N-Bis(4-bromophenyl)aniline. It belongs to the product categories of Acid Anhydrides; Electroluminescence; Fluorenes; Functional Materials; Reagent for High-Performance Polymer Research; Reagents for Conducting Polymer Research. This chemical's molecular formula is C18H13Br2N and molecular weight is 403.11. What's more, its systematic name is called 4-Bromo-N-(4-bromophenyl)-N-phenylaniline.

Physical properties about Benzenamine,4-bromo-N-(4-bromophenyl)-N-phenyl- are: (1) ACD/LogP: 7.23; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 8; (4) ACD/LogD (pH 7.4): 8; (5) ACD/BCF (pH 5.5): 467955; (6) ACD/BCF (pH 7.4): 467955; (7) ACD/KOC (pH 5.5): 398386; (8) ACD/KOC (pH 7.4): 398386; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.679; (14) Molar Refractivity: 95.477 cm3; (15) Molar Volume: 252.963 cm3; (16) Surface Tension: 51.971 dyne/cm; (17) Density: 1.594 g/cm3; (18) Flash Point: 238.488 °C; (19) Enthalpy of Vaporization: 73.334 kJ/mol; (20) Boiling Point: 470.728 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 69 °C.

Preparation of Benzenamine,4-bromo-N-(4-bromophenyl)-N-phenyl-: this chemical can be prepared by Cyclohexane-1,4-dione with Bis-(4-bromo-phenyl)-amine.



This reaction needs catalyst p-Toluenesulfonic acid, solvent Toluene and other condition of heating for 12 hours. The yield is 94 %.

Uses of Benzenamine,4-bromo-N-(4-bromophenyl)-N-phenyl-: it is used to produce other chemicals. For example, it is used to produce 4-[Bis-(4-bromo-phenyl)-amino]-benzaldehyde.



The reaction occurs with reagent POCl3, solvent 1,2-Dichloro-ethane and other condition of heating for 18 hours. The yield is 43 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed and it may cause sensitisation by skin contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)N(c2ccc(Br)cc2)c3ccccc3
(2) InChI: InChI=1/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
(3) InChIKey: KIGVOJUDEQXKII-UHFFFAOYAX

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