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| CAS No.: | 57103-20-5 |
|---|---|
| Name: | 3,6-Dibromo-9-phenylcarbazole |
| Molecular Structure: | |
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| Formula: | C18H11Br2N |
| Molecular Weight: | 401.1 |
| Synonyms: | 3,6-Dibromo-9-phenyl-9H-carbazole; |
| EINECS: | 664-410-7 |
| Density: | 1.642 g/cm3 |
| Melting Point: | 160-164℃ |
| Boiling Point: | 505.261 °C at 760 mmHg |
| Flash Point: | 259.373 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39-24/25 |
| PSA: | 4.93000 |
| LogP: | 6.30870 |
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Specification
The 3,6-Dibromo-9-phenylcarbazole, with CAS registry number 57103-20-5, belongs to the following product categories: (1)Carbazoles; (2)Carbazoles (for Conduting Polymer Research); (3)Functional Materials; (4)Reagents for Conducting Polymer Research. It has the systematic name of 3,6-dibromo-9-phenyl-9H-carbazole. And the chemical formula of this chemical is C18H11Br2N.
Physical properties of 3,6-Dibromo-9-phenylcarbazole: (1)ACD/LogP: 6.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 449400; (6)ACD/BCF (pH 7.4): 449400; (7)ACD/KOC (pH 5.5): 387014; (8)ACD/KOC (pH 7.4): 387014; (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: 1.7; (14)Molar Refractivity: 94.373 cm3; (15)Molar Volume: 244.227 cm3; (16)Polarizability: 37.412×10-24cm3; (17)Surface Tension: 50.593 dyne/cm; (18)Enthalpy of Vaporization: 77.49 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cc2c1cc(Br)ccc1n(c2cc3)c4ccccc4
(2)InChI: InChI=1/C18H11Br2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
(3)InChIKey: JBWRZTKHMKVFMQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C18H11Br2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
(5)Std. InChIKey: JBWRZTKHMKVFMQ-UHFFFAOYSA-N