CAS No.81090-53-1,4,4'-DIBROMOTRIPHENYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81090-53-1
Name:	4,4'-DIBROMOTRIPHENYLAMINE
Article Data:	32

Formula:	C₁₈H₁₃Br₂N
Molecular Weight:	403.116
Synonyms:	4,4'-Dibromotriphenylamine;N,N-Bis(4-bromophenyl)aniline;N,N-Diphenyl-4,4'-dibromoaniline;N-Phenyl-N-(4-bromophenyl)-4-bromobenzeneamine;
Density:	1.594 g/cm³
Melting Point:	69 °C
Boiling Point:	470.728 °C at 760 mmHg
Flash Point:	238.488 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-43-22
Safety:	26-36/37/39
PSA:	3.24000
LogP:	6.68140

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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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