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| CAS No.: | 69268-39-9 |
|---|---|
| Name: | 3,6-Dibromoquinoline |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H5Br2N |
| Molecular Weight: | 286.953 |
| Synonyms: | 3,6-Dibromo-quinoline |
| Density: | 1.923 g/cm3 |
| Boiling Point: | 333.1 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| PSA: | 12.89000 |
| LogP: | 3.75980 |
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- Total:31 Page 1 of 1 1
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Specification
This chemical is called 3,6-Dibromoquinoline, and its CAS registry number is 69268-39-9. With the molecular formula of C9H5Br2N, its molecular weight is 286.95.
Other characteristics of the 3,6-Dibromoquinoline can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.698; (8)Molar Refractivity: 57.56 cm3; (9)Molar Volume: 149.1 cm3; (10)Polarizability: 22.82×10-24cm3; (11)Surface Tension: 55 dyne/cm; (12)Density: 1.923 g/cm3; (13)Flash Point: 155.2 °C; (14)Enthalpy of Vaporization: 55.3 kJ/mol; (15)Boiling Point: 333.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000271 mmHg at 25°C.
Production method of this chemical: The 3,6-Dibromoquinoline could be obtained by the reactant of quinoline. This reaction needs the reagents of bromine, NaNO2, ZnCl2, and the solvents of acetic anhydride, CHCl3. The yield is 33 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc2ncc(Br)cc2c1
2.InChI: InChI=1/C9H5Br2N/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H
3.InChIKey: CYLMMNPZLQGNEW-UHFFFAOYAX