CAS No.10198-89-7,1,3-DI(2-PYRIDYL)-1,3-PROPANEDIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10198-89-7
Name:	1,3-DI(2-PYRIDYL)-1,3-PROPANEDIONE
Article Data:	10

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