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| CAS No.: | 1153-85-1 |
|---|---|
| Name: | 3-Bromo-9-phenylcarbazole |
| Article Data: | 100 |
| Molecular Structure: | |
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|
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| Formula: | C18H12BrN |
| Molecular Weight: | 322.204 |
| Synonyms: | 3-Bromo-9-phenyl-9H-carbazole;3-Bromo-9-phenylcarbazole;Carbazole,3-bromo-9-phenyl- (8CI); |
| EINECS: | 805-770-9 |
| Density: | 1.39 g/cm3 |
| Melting Point: | 98 °C |
| Boiling Point: | 461.7 °C at 760 mmHg |
| Flash Point: | 233 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22; R36/37/38 |
| PSA: | 4.93000 |
| LogP: | 5.54620 |
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Specification
The 3-Bromo-N-phenylcarbazole, with the CAS registry number 1153-85-1, is also known as 3-Bromo-9-phenylcarbazole. This chemical's molecular formula is C18H12BrN and molecular weight is 322.20. Its systematic name is called 3-bromo-9-phenyl-9H-carbazole.
Physical properties of 3-Bromo-N-phenylcarbazole: (1)ACD/LogP: 6.97; (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): 116447.37; (6)ACD/BCF (pH 7.4): 116447.37; (7)ACD/KOC (pH 5.5): 147202.06; (8)ACD/KOC (pH 7.4): 147202.06; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 86.81 cm3; (13)Molar Volume: 231.6 cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 233 °C; (17)Enthalpy of Vaporization: 72.26 kJ/mol; (18)Boiling Point: 461.7 °C at 760 mmHg; (19)Vapour Pressure: 1.05E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)n2c3ccccc3c4c2ccc(c4)Br
(2)InChI: InChI=1/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
(3)InChIKey: KUBSCXXKQGDPPD-UHFFFAOYAC