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| CAS No.: | 13721-00-1 |
|---|---|
| Name: | 2,3-DIBROMOQUINOLINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H5Br2N |
| Molecular Weight: | 286.95 |
| Synonyms: | 2,3-Dibromoquinoline; |
| Density: | 1.923g/cm3 |
| Boiling Point: | 332.5 °C at 760 mmHg |
| Flash Point: | 154.9 °C |
| PSA: | 12.89000 |
| LogP: | 3.75980 |
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Specification
The Quinoline, 2,3-dibromo-, with CAS registry number 13721-00-1, has the systematic name of 2,3-dibromoquinoline. Its molecular weight is 286.95. And the chemical formula of this chemical is C9H5Br2N.
Physical properties of Quinoline, 2,3-dibromo-: (1)ACD/LogP: 3.67; (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: 154.9 °C; (14)Enthalpy of Vaporization: 55.25 kJ/mol; (15)Boiling Point: 332.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00028 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ccccc2nc1Br
(2)InChI: InChI=1/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(3)InChIKey: KWVPZTJLHQKCKD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(5)Std. InChIKey: KWVPZTJLHQKCKD-UHFFFAOYSA-N