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| CAS No.: | 858516-23-1 |
|---|---|
| Name: | (4-Bromophenyl)-p-tolylamine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C13H12BrN |
| Molecular Weight: | 262.149 |
| Synonyms: | 4-Bromo-N-(4-methylphenyl)aniline; |
| EINECS: | 1533716-785-6 |
| Density: | 1.395 g/cm3 |
| Boiling Point: | 359.449 °C at 760 mmHg |
| Flash Point: | 171.189 °C |
| PSA: | 12.03000 |
| LogP: | 4.57410 |
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Specification
The cas register number of N-(4-Bromophenyl)-4-methylbenzenamine is 858516-23-1. It also can be called as benzenamine, 4-bromo-N-(4-methylphenyl)- and the Systematic name about this chemical is 4-bromo-N-(4-methylphenyl)aniline.
Physical properties about N-(4-Bromophenyl)-4-methylbenzenamine are: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.03Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 68.142 cm3; (9)Molar Volume: 187.934 cm3; (10)Surface Tension: 45.746 dyne/cm; (11)Density: 1.395 g/cm3; (12)Flash Point: 171.189 °C; (13)Enthalpy of Vaporization: 60.505 kJ/mol; (14)Boiling Point: 359.449 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Brc2ccc(Nc1ccc(cc1)C)cc2
2.InChI: InChI=1/C13H12BrN/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9,15H,1H3
3.InChIKey: BGBUEPYWYDNJQN-UHFFFAOYAC
4.Std. InChI: InChI=1S/C13H12BrN/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9,15H,1H3.