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| CAS No.: | 175858-10-3 |
|---|---|
| Name: | 2,6-Dibromoquinoxaline |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H4Br2N2 |
| Molecular Weight: | 287.941 |
| Synonyms: | Quinoxaline, 2,6-dibromo-; |
| Density: | 2.023 g/cm3 |
| Boiling Point: | 333.707 °C at 760 mmHg |
| Flash Point: | 155.621 °C |
| PSA: | 25.78000 |
| LogP: | 3.15480 |
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Specification
The 2,6-Dibromoquinoxaline, with the CAS registry number 175858-10-3, is also known as Quinoxaline, 2,6-dibromo-. This chemical's molecular formula is C8H4Br2N2 and molecular weight is 287.942. What's more, its systematic name is 2,6-Dibromoquinoxaline.
Physical properties about 2,6-Dibromoquinoxaline are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.331; (4)ACD/LogD (pH 7.4): 2.331; (5)ACD/BCF (pH 5.5): 34.788; (6)ACD/BCF (pH 7.4): 34.788; (7)ACD/KOC (pH 5.5): 441.544; (8)ACD/KOC (pH 7.4): 441.544; (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: 1.71; (14)Molar Refractivity: 55.658 cm3; (15)Molar Volume: 142.366 cm3; (16)Polarizability: 22.065 × 10-24 cm3; (17)Surface Tension: 62.563 dyne/cm; (18)Density: 2.023 g/cm3; (19)Flash Point: 155.621 °C; (20)Enthalpy of Vaporization: 55.373 kJ/mol; (21)Boiling Point: 333.707 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
This chemical is prepared by 6-Bromo-2-hydroxyquinoxaline. The reaction needs reagents POCl3 and PBr3. The reaction time is 6 hours with reaction temperature of 170 °C. The yield is about 72 %.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1Br)ncc(n2)Br
(2) InChI: InChI=1/C8H4Br2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
(3) InChIKey: NDROOZZFHGBQAJ-UHFFFAOYAW