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Name |
Ethyl 3-pyridazinone-6-carboxylate |
EINECS | N/A |
CAS No. | 63001-31-0 | Density | 1.33 g/cm3 |
PSA | 72.05000 | LogP | -0.05340 |
Solubility | N/A | Melting Point |
127-128 °C |
Formula | C7H8N2O3 | Boiling Point | 381.8 °C at 760 mmHg |
Molecular Weight | 168.152 | Flash Point | 184.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,6-DIHYDRO-6-OXO-3-PYRIDAZINECARBOXYLIC ACID, ETHYL ESTER; |
Article Data | 6 |
This chemical is called Ethyl 3-pyridazinone-6-carboxylate, and its systematic name is ethyl 6-oxo-1,6-dihydropyridazine-3-carboxylate. With the molecular formula of C7H8N2O3, its molecular weight is 168.15. The CAS registry number of this chemical is 63001-31-0.
Other characteristics of the Ethyl 3-pyridazinone-6-carboxylate can be summarised as followings: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.22; (8)ACD/KOC (pH 7.4): 19.21; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 41.26 cm3; (15)Molar Volume: 126.2 cm3; (16)Polarizability: 16.36×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 65.48 kJ/mol; (21)Boiling Point: 381.8 °C at 760 mmHg; (22)Vapour Pressure: 2.26E-06 mmHg at 25 °C.
Uses of this chemical: The 6-chloro-pyridazine-3-carboxylic acid ethyl ester could be obtained by the reactant of Ethyl 3-pyridazinone-6-carboxylate, and the reagent of POCl3. This reaction should be taken for 2 hours at the temperature of 100 °C, and its yield is 84.4 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)/C1=N/NC(=O)/C=C1
2.InChI: InChI=1/C7H8N2O3/c1-2-12-7(11)5-3-4-6(10)9-8-5/h3-4H,2H2,1H3,(H,9,10)
3.InChIKey: PNZFPPKCYNMOSA-UHFFFAOYAG