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| CAS No.: | 185112-61-2 |
|---|---|
| Name: | 9-(3-bromophenyl)carbazole |
| Molecular Structure: | |
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| Formula: | C18H12BrN |
| Molecular Weight: | 322.204 |
| Synonyms: | 9-(3-Bromophenyl)-9H-carbazole |
| EINECS: | 807-965-4 |
| Density: | 1.4±0.1 g/cm3 |
| Melting Point: | 69-70 °C |
| Boiling Point: | 462.9±37.0 °C at 760 mmHg |
| Flash Point: | 233.7±26.5 °C |
| PSA: | 4.93000 |
| LogP: | 5.54620 |
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Specification
The 9-(3-Bromophenyl)-9H-carbazole, with the CAS registry number 185112-61-2, is also known as 9H-Carbazole, 9-(3-bromophenyl)-. This chemical's molecular formula is C18H12BrN and molecular weight is 209.20. What's more, its systematic name is 9-(3-Bromophenyl)-9H-carbazole.
Physical properties of 9-(3-Bromophenyl)-9H-carbazole are: (1)ACD/LogP: 6.97±0.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.97; (4)ACD/LogD (pH 7.4): 6.97; (5)ACD/BCF (pH 5.5): 116447.20; (6)ACD/BCF (pH 7.4): 116447.20; (7)ACD/KOC (pH 5.5): 147201.90; (8)ACD/KOC (pH 7.4): 147201.90; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 86.8±0.5 cm3; (15)Molar Volume: 231.7±7.0 cm3; (16)Polarizability: 34.4±0.5×10-24cm3; (17)Surface Tension: 47.4±7.0 dyne/cm; (18)Density: 1.4±0.1 g/cm3; (19)Flash Point: 233.7±26.5 °C; (20)Enthalpy of Vaporization: 72.4±3.0 kJ/mol; (21)Boiling Point: 462.9±37.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c3ccccc3n2c4cccc(c4)Br
(2)Std. InChI: InChI=1S/C18H12BrN/c19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12H
(3)Std. InChIKey: ZKGHGKNHPPZALY-UHFFFAOYSA-N