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| CAS No.: | 2166-31-6 |
|---|---|
| Name: | 6-PHENYL-3(2H)-PYRIDAZINONE |
| Article Data: | 52 |
| Molecular Structure: | |
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| Formula: | C10H8N2O |
| Molecular Weight: | 172.186 |
| Synonyms: | 3-Phenyl-6-pyridazinone;3-Phenyl-6-pyridazone;3-Pyridazinol, 6-phenyl-;6-Phenyl-2H-pyridazin-3-one;6-Phenyl-3(2H)-pyridazinone;6-Phenyl-3-pyridazinone;6-Phenyl-3-pyridazone;6-Phenylpyridazin-3-ol;NSC 13399; |
| EINECS: | 218-505-1 |
| Density: | 1.2g/cm3 |
| Melting Point: | 201-204 °C(lit.) |
| Boiling Point: | 403.8 °C at 760 mmHg |
| Flash Point: | 198 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.75000 |
| LogP: | 1.43690 |
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Specification
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%.
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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℃.
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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