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CAS No.: | 902518-11-0 |
---|---|
Name: | N-(2-BroMophenyl)-9H-carbazole |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C18H12BrN |
Molecular Weight: | 322.204 |
Synonyms: | 9-(2-bromophenyl)carbazole; |
EINECS: | 694-393-1 |
Density: | 1.4±0.1 g/cm3 |
Melting Point: | 93-94℃ |
Boiling Point: | 462.0±37.0 °C at 760 mmHg |
Flash Point: | 233.2±26.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 4.93000 |
LogP: | 5.54620 |
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The 9-(2-Bromophenyl)-9H-carbazole, with the CAS registry number 902518-11-0, is also known as 9H-Carbazole, 9-(2-bromophenyl)-. This chemical's molecular formula is C18H12BrN and molecular weight is 322.20. What's more, its systematic name is 9-(2-Bromophenyl)-9H-carbazole.
Physical properties of 9-(2-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: 233.2±26.5 °C; (20)Enthalpy of Vaporization: 72.3±3.0 kJ/mol; (21)Boiling Point: 462.0±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)c3ccccc3n2c4ccccc4Br
(2)Std. InChI: InChI=1S/C18H12BrN/c19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H
(3)Std. InChIKey: KEWDVYIULXXMPP-UHFFFAOYSA-N