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| CAS No.: | 18511-72-3 |
|---|---|
| Name: | 4,4'-DINITRO-2,2'-BIPYRIDINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H6N4O4 |
| Molecular Weight: | 246.182 |
| Synonyms: | 4,4'-Dinitro[2,2'-bipyridine];4-Nitro-2-(4-nitropyridin-2-yl)pyridine; |
| EINECS: | 1312995-182-4 |
| Density: | 1.493 g/cm3 |
| Melting Point: | 195-197℃ (ethanol ) |
| Boiling Point: | 449.38 °C at 760 mmHg |
| Flash Point: | 225.577 °C |
| PSA: | 117.42000 |
| LogP: | 3.00640 |
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- Total:36 Page 1 of 1 1
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Specification
The 2,2'-Bipyridine,4,4'-dinitro-, with the CAS registry number 18511-72-3, is also known as 4,4'-Dinitro-2,2'-bipyridin. This chemical's molecular formula is C10H6N4O4 and molecular weight is 246.18. What's more, its IUPAC name is called 4-Nitro-2-(4-nitropyridin-2-yl)pyridine.
Physical properties about 2,2'-Bipyridine,4,4'-dinitro- are: (1)ACD/LogP: 0.844; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.58; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 68.55; (8)ACD/KOC (pH 7.4): 68.55; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 117.42 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 60.118 cm3; (15)Molar Volume: 164.849 cm3; (16)Polarizability: 23.833×10-24cm3; (17)Surface Tension: 71.819 dyne/cm; (18)Density: 1.493 g/cm3; (19)Flash Point: 225.577 °C; (20)Enthalpy of Vaporization: 68.083 kJ/mol; (21)Boiling Point: 449.38 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(cc1[N+](=O)[O-])c2cc(ccn2)[N+](=O)[O-]
(2) InChI: InChI=1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H
(3) InChIKey: ULRVNIRBWWMQJT-UHFFFAOYSA-N