Pyridazine-4-carboxylic acid methyl ester

The Pyridazine-4-carboxylic acid methyl ester, with the CAS registry number 34231-77-1, is also known as 4-Pyridazinecarboxylicacid, methyl ester. This chemical's molecular formula is C₆H₆N₂O₂ and molecular weight is 138.12404. What's more, its IUPAC name is Methyl pyridazine-4-carboxylate.

Physical properties about Pyridazine-4-carboxylic acid methyl ester are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 34.209 cm³; (15)Molar Volume: 113.774 cm³; (16)Polarizability: 13.561×10^-24 cm³; (17)Surface Tension: 48.612 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 123.91 °C; (20)Enthalpy of Vaporization: 52.006 kJ/mol; (21)Boiling Point: 281.273 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.

Preparation of Pyridazine-4-carboxylic acid methyl ester: this chemical is prepared by reaction of Pyridazine-4-carbaldehyde with Nitromethane at ambient temperature. This reaction needs catalyst Piperidine and solvent Methanol. The reaction time is 20 hours. The yield is about 4 %.

Uses of Pyridazine-4-carboxylic acid methyl ester: it is used to produce other chemicals. For example, it is used to produce 4-Pyridazincarbohydroxamsaeure by heating. This reaction needs reagents Hydroxylammoniumchloride and Na₂CO₃. Meanwhile, it needs solvent Methanol. The reaction time is 2 hours. The yield is about 79 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cnncc1
(2) InChI: InChI=1/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
(3) InChIKey: IJFLWNYKGMQQOW-UHFFFAOYAB