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| CAS No.: | 35779-35-2 |
|---|---|
| Name: | DIPYRIDIN-3-YLMETHANONE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C11H8N2O |
| Molecular Weight: | 184.19 |
| Synonyms: | 3,3'-Dipyridylketone;3-Nicotinoylpyridine;Bis(pyridin-3-yl)methanone;Di(pyridin-3-yl)ketone;Di-3-pyridyl ketone;NSC 170628; |
| Density: | 1.196 g/cm3 |
| Melting Point: | 115.5-117.0 °C |
| Boiling Point: | 346.8 °C at 760 mmHg |
| Flash Point: | 167.6 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 42.85000 |
| LogP: | 1.70760 |
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Specification
The Methanone,di-3-pyridinyl-, with the CAS registry number 35779-35-2, is also known as Bis(pyridin-3-yl)methanone. This chemical's molecular formula is C11H8N2O and molecular weight is 184.19. What's more, its IUPAC name is dipyridin-3-ylmethanone.
Physical properties of Methanone,di-3-pyridinyl- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.85 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 52.22 cm3; (9)Molar Volume: 153.9 cm3; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.196 g/cm3; (12)Flash Point: 167.6 °C; (13)Enthalpy of Vaporization: 59.1 kJ/mol; (14)Boiling Point: 346.8 °C at 760 mmHg; (15)Vapour Pressure: 5.63E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)C(=O)C2=CN=CC=C2
(2)InChI: InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H
(3)InChIKey: AQLPDLOXKZRZEV-UHFFFAOYSA-N