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CAS No.: | 147496-14-8 |
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Name: | 6,6'-DIBROMO-[3,3']-BIPYRIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H6Br2N2 |
Molecular Weight: | 313.979 |
Synonyms: | 6,6'-Dubromo-3,3'-bipyridine; |
Density: | 1.809g/cm3 |
Melting Point: | ca 249℃ |
Boiling Point: | 411 °C at 760 mmHg |
Flash Point: | 202.4 °C |
PSA: | 25.78000 |
LogP: | 3.66860 |
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The 3,3'-Bipyridine,6,6'-dibromo-, with the CAS registry number 147496-14-8, is also known as 6,6'-Dubromo[3,3']bipyridil. This chemical's molecular formula is C10H6Br2N2 and molecular weight is 313.976. What's more, its systematic name is called 6,6'-Dibromo-3,3'-bipyridine.
Physical properties about 3,3'-Bipyridine,6,6'-dibromo- are: (1)ACD/LogP: 3.22; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.63; (6)ACD/BCF (pH 7.4): 164.63; (7)ACD/KOC (pH 5.5): 1343.32; (8)ACD/KOC (pH 7.4): 1343.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 62.4 cm3; (15)Molar Volume: 173.5 cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.809 g/cm3; (18)Flash Point: 202.4 °C; (19)Enthalpy of Vaporization: 63.76 kJ/mol; (20)Boiling Point: 411 °C at 760 mmHg; (21)Vapour Pressure: 1.38E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ncc(c1cnc(Br)cc1)cc2
(2) InChI: InChI=1/C10H6Br2N2/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H
(3) InChIKey: IJTQXCQPBVBRSV-UHFFFAOYAU