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| CAS No.: | 39069-02-8 |
|---|---|
| Name: | 2,9-Dibromo-1,10-Phenanthroline |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C12H6Br2N2 |
| Molecular Weight: | 338.001 |
| Synonyms: | 2,9-Dibromo-1,10-phenanthroline |
| EINECS: | 1312995-182-4 |
| Density: | 1.915 g/cm3 |
| Boiling Point: | 460.244 °C at 760 mmHg |
| Flash Point: | 232.147 °C |
| PSA: | 25.78000 |
| LogP: | 4.30800 |
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Specification
The 2,9-Dibromo-1,10-Phenanthroline has the CAS registry number 39069-02-8. This chemical's molecular formula is C12H6Br2N2 and molecular weight is 337. What's more, its systematic name is 2,9-dibromo-1,10-phenanthroline.
Physical properties of 2,9-Dibromo-1,10-Phenanthroline are: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.756; (4)ACD/LogD (pH 7.4): 3.757; (5)ACD/BCF (pH 5.5): 421.334; (6)ACD/BCF (pH 7.4): 421.712; (7)ACD/KOC (pH 5.5): 2631.476; (8)ACD/KOC (pH 7.4): 2633.839; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.772; (14)Molar Refractivity: 73.501 cm3; (15)Molar Volume: 176.482 cm3; (16)Polarizability: 29.138×10-24 cm3; (17)Surface Tension: 66.634 dyne/cm; (18)Density: 1.915 g/cm3; (19)Flash Point: 232.147 °C; (20)Enthalpy of Vaporization: 69.325 kJ/mol; (21)Boiling Point: 460.244 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1cc2ccc(nc2c3c1ccc(n3)Br)Br
(2)InChI: InChI=1/C12H6Br2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
(3)InChIKey: QNLGXYVSHITTGT-UHFFFAOYAN