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| CAS No.: | 13817-74-8 |
|---|---|
| Name: | 1-methyl-2-phenyl-1,2-dihydropyridazine-3,6-dione |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H10N2O2 |
| Molecular Weight: | 202.213 |
| Synonyms: | 1-Methyl-2-phenyl-1, 2, 3, 6-tetrahydropyridazine-3, 6-dione; |
| Density: | 1.271 g/cm3 |
| Boiling Point: | 317.2 °C at 760 mmHg |
| Flash Point: | 139.2 °C |
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Specification
The 1-Methyl-2-phenyl-1, 2-dihydro-pyridazine-3, 6-dione, with the CAS registry number 13817-74-8, is also known as 1-Methyl-2-phenyl-1, 2, 3, 6-tetrahydropyridazine-3, 6-dione. This chemical's molecular formula is C11H10N2O2 and molecular weight is 202.2093. What's more, its IUPAC name is 1-Methyl-2-phenylpyridazine-3, 6-dione.
Physical properties about 1-Methyl-2-phenyl-1, 2-dihydro-pyridazine-3, 6-dione are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 40.62 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 54.59 cm3; (9)Molar Volume: 159 cm3; (10)Polarizability: 21.64×10-24 cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.271 g/cm3; (13)Flash Point: 139.2 °C; (14)Enthalpy of Vaporization: 55.86 kJ/mol; (15)Boiling Point: 317.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000392 mmHg at 25 °C.
Preparation of 1-Methyl-2-phenyl-1, 2-dihydro-pyridazine-3, 6-dione: this chemical is prepared by reaction of Sulfuric acid dimethyl ester with 6-Hydroxy-2-phenyl-2H-pyridazin-3-one. The reaction time is 3 hours with reaction temperature of 140 - 150 °C. The yield is about 100 %.
Uses of 1-Methyl-2-phenyl-1, 2-dihydro-pyridazine-3, 6-dione: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-1-phenyl-4-(toluene-4-sulfonylmethyl)-1, 2-dihydro-pyridazine-3, 6-dione. The reaction time is 1.5 hours with reaction temperature of -75 °C. The yield is about 82 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\C=C/C(=O)N(c1ccccc1)N2C
(2) InChI: InChI=1/C11H10N2O2/c1-12-10(14)7-8-11(15)13(12)9-5-3-2-4-6-9/h2-8H,1H3
(3) InChIKey: HJHFNYLISJKDGC-UHFFFAOYAL