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3,6-Dibromoquinoline

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Name

3,6-Dibromoquinoline

EINECS N/A
CAS No. 69268-39-9 Density 1.923 g/cm3
PSA 12.89000 LogP 3.75980
Solubility N/A Melting Point N/A
Formula C9H5Br2N Boiling Point 333.1 °C at 760 mmHg
Molecular Weight 286.953 Flash Point 155.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 69268-39-9 (3,6-Dibromoquinoline) Hazard Symbols N/A
Synonyms

3,6-Dibromo-quinoline

Article Data 2

3,6-Dibromoquinoline 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.

The 3,6-Dibromoquinoline could be obtained by the reactant of quinoline

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

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