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| CAS No.: | 14628-57-0 |
|---|---|
| Name: | 4-CHLORO-5-METHOXY-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H7ClN2O2 |
| Molecular Weight: | 174.587 |
| Synonyms: | 4-Chloro-5-methoxy-2-methyl-3(2H)-pyridazinone; |
| Density: | 1.37 g/cm3 |
| Melting Point: | 151-153 °C |
| Boiling Point: | 268 °C at 760 mmHg |
| Flash Point: | 115.9 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 44.12000 |
| LogP: | 0.44230 |
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Specification
The 3(2H)-Pyridazinone,4-chloro-5-methoxy-2-methyl-, with the CAS registry number 14628-57-0, is also known as 4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one. It belongs to the product categories of Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C6H7ClN2O2 and molecular weight is 174.58. Its systematic name is called 4-chloro-5-methoxy-2-methylpyridazin-3(2H)-one.
Physical properties of 3(2H)-Pyridazinone,4-chloro-5-methoxy-2-methyl-: (1)ACD/LogP: -0.70; (2)ACD/LogD (pH 5.5): -0.7; (3)ACD/LogD (pH 7.4): -0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.94; (7)ACD/KOC (pH 7.4): 9.94; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 41.12 cm3; (12)Molar Volume: 127.3 cm3; (13)Surface Tension: 41.7 dyne/cm; (14)Density: 1.37 g/cm3; (15)Flash Point: 115.9 °C; (16)Enthalpy of Vaporization: 50.61 kJ/mol; (17)Boiling Point: 268 °C at 760 mmHg; (18)Vapour Pressure: 0.00789 mmHg at 25°C.
Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 4-chloro-5-methoxy-2H-pyridazin-3-one. This reaction will need reagent NaOH and solvent H2O. The reaction time is 48 hours. The yield is about 51%.
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Uses of 3(2H)-Pyridazinone,4-chloro-5-methoxy-2-methyl-: it can be used to produce 5-methoxy-2-methyl-2H-pyridazin-3-one. This reaction will need reagent 2N NaOH, H2 and solvent H2O with reaction time of 4 hours. The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C(/OC)\C=N/N(C1=O)C
(2)InChI: InChI=1/C6H7ClN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
(3)InChIKey: OGHGGBMXRUJBAF-UHFFFAOYAI