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| CAS No.: | 202831-65-0 |
|---|---|
| Name: | 4-Bromo-4'-(diphenylamino)biphenyl |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C24H18BrN |
| Molecular Weight: | 400.318 |
| Synonyms: | Benzenamine, N-(4'-bromo[1,1'-biphenyl]-4-yl)-N-phenyl-; |
| EINECS: | 1312995-182-4 |
| Density: | 1.325 g/cm3 |
| Melting Point: | 127.0 to 131.0 °C |
| Boiling Point: | 518.2 °C at 760 mmHg |
| Flash Point: | 267.2 °C |
| PSA: | 3.24000 |
| LogP: | 7.58590 |
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Specification
1.Introduction of 4-Bromo-4'-(diphenylamino)biphenyl
The 4-Bromo-4'-(diphenylamino)biphenyl, with the CAS registry number of 202831-65-0, is also known as Benzenamine, N-(4'-bromo[1,1'-biphenyl]-4-yl)-N-phenyl-. Its molecular formula is C24H18BrN and molecular weight is 400.31042. What's more, its systematic name is 4'-Bromo-N,N-diphenylbiphenyl-4-amine.
2. Physical properties about the 4-Bromo-4'-(diphenylamino)biphenyl
(1)ACD/LogP: 8.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.4; (4)ACD/LogD (pH 7.4): 8.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 886074.38; (8)ACD/KOC (pH 7.4): 886074.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 112.37 cm3; (15)Molar Volume: 302 cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.325 g/cm3; (18)Flash Point: 267.2 °C; (19)Enthalpy of Vaporization: 79.06 kJ/mol; (20)Boiling Point: 518.2 °C at 760 mmHg; (21)Vapour Pressure: 7.68E-11 mmHg at 25 °C.
3.Structure descriptors of 4-Bromo-4'-(diphenylamino)biphenyl
(1) SMILES: Brc4ccc(c3ccc(N(c1ccccc1)c2ccccc2)cc3)cc4
(2) InChI: InChI=1/C24H18BrN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
(3) InChIKey: NKCKVJVKWGWKRK-UHFFFAOYAW