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2,6-Dibromoquinoxaline

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Name

2,6-Dibromoquinoxaline

EINECS N/A
CAS No. 175858-10-3 Density 2.023 g/cm3
PSA 25.78000 LogP 3.15480
Solubility N/A Melting Point N/A
Formula C8H4Br2N2 Boiling Point 333.707 °C at 760 mmHg
Molecular Weight 287.941 Flash Point 155.621 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 175858-10-3 (2,6-Dibromoquinoxaline) Hazard Symbols N/A
Synonyms

Quinoxaline, 2,6-dibromo-;

Article Data 2

2,6-Dibromoquinoxaline 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 %.

The 2,6-Dibromoquinoxaline can be obtained by 6-Bromo-2-hydroxyquinoxaline.

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

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