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| CAS No.: | 10198-89-7 |
|---|---|
| Name: | 1,3-DI(2-PYRIDYL)-1,3-PROPANEDIONE |
| Molecular Structure: | |
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| Formula: | C13H10N2O2 |
| Molecular Weight: | 226.235 |
| Synonyms: | 1,3-Di(pyridin-2-yl)propane-1,3-dione; |
| Density: | 1.233 g/cm3 |
| Melting Point: | 106 ºC |
| Boiling Point: | 415.3 °C at 760 mmHg |
| Flash Point: | 206.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 59.92000 |
| LogP: | 1.93230 |
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Specification
The 1,3-Propanedione,1,3-di-2-pyridinyl-, with the CAS registry number 10198-89-7, is also known as 1,3-Di(pyridin-2-yl)propane-1,3-dione. This chemical's molecular formula is C13H10N2O2 and molecular weight is 226.2307. What's more, its systematic name is 1,3-Dipyridin-2-ylpropane-1,3-dione.
Physical properties about 1,3-Propanedione,1,3-di-2-pyridinyl- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 7.45; (6)ACD/BCF (pH 7.4): 6.31; (7)ACD/KOC (pH 5.5): 146.41; (8)ACD/KOC (pH 7.4): 123.95; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.92 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 62.06 cm3; (15)Molar Volume: 183.3 cm3; (16)Polarizability: 24.6×10-24 cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 66.83 kJ/mol; (21)Boiling Point: 415.3 °C at 760 mmHg; (22)Vapour Pressure: 4.18E-07 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ncccc1)CC(=O)c2ncccc2
(2) InChI: InChI=1/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2
(3) InChIKey: DCGUVLMWGIPVDP-UHFFFAOYAW