6-PHENYL-3(2H)-PYRIDAZINONE

The 3(2H)-Pyridazinone,6-phenyl-, with CAS registry number 2166-31-6, belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Pyridazines. It has the systematic name of 6-phenylpyridazin-3(2H)-one. And the chemical formula of this chemical is C₁₀H₈N₂O. What's more, its EINECS is 218-505-1.

Physical properties of 3(2H)-Pyridazinone,6-phenyl-: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.28; (7)ACD/KOC (pH 5.5): 81.53; (8)ACD/KOC (pH 7.4): 81.51; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 50.49 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 20.01×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 403.8 °C at 760 mmHg; (22)Vapour Pressure: 4.24E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-phenyl-4,5-dihydro-2H-pyridazin-3-one. This reaction will need reagent SeO₂. The reaction time is 1 min. The yield is about 81%.

Uses of 3(2H)-Pyridazinone,6-phenyl-: it can be used to produce 3-chloro-6-phenyl-pyridazine. This reaction will need reagents POCl₃, N,N-Dimethylaniline. The reaction time is 7 hour(s) with reaction temperature of 130℃.

When you are using this chemical, please be cautious about it as the following:
The 3(2H)-Pyridazinone,6-phenyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C\C(=N/N1)\c2ccccc2
(2)InChI: InChI=1/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
(3)InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
(5)Std. InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N