3,6-PYRIDAZINEDICARBOXYLIC ACID

The 3,6-Pyridazinedicarboxylicacid, with CAS registry number 57266-70-3, belongs to the following product category: Pharmacetical. It has the systematic name of pyridazine-3,6-dicarboxylic acid. Besides this, it is also called 3,6-Pyridazinedicarboxylic acid. And the chemical formula of this chemical is C₆H₄N₂O₄.

Physical properties of 3,6-Pyridazinedicarboxylicacid: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.03; (4)ACD/LogD (pH 7.4): -5.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.38 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 36.29 cm³; (15)Molar Volume: 100.9 cm³; (16)Polarizability: 14.38×10^-24cm³; (17)Surface Tension: 100.7 dyne/cm; (18)Density: 1.665 g/cm³; (19)Flash Point: 292.3 °C; (20)Enthalpy of Vaporization: 88.6 kJ/mol; (21)Boiling Point: 559.7 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-13 mmHg at 25°C.

Preparation: this chemical can be prepared by Sodium 3,6-pyridazinedicarboxylate. This reaction will need reagent Amberlite IRN 77 and solvent H₂O. The reaction time is 0.5 hour(s). The yield is about 75%.

Uses of 3,6-Pyridazinedicarboxylicacid: it can be used to produce pyridazine-3,6-dicarbonyl dichloride. This reaction will need reagents thionyl chloride, DMF.

When you are using this chemical, please be cautious about it as the following:
The 3,6-Pyridazinedicarboxylicacid 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=C(O)c1nnc(C(=O)O)cc1
(2)InChI: InChI=1/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)
(3)InChIKey: FJPJFQGISLJONZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)
(5)Std. InChIKey: FJPJFQGISLJONZ-UHFFFAOYSA-N