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CAS No.: | 2164-61-6 |
---|---|
Name: | 3-Pyridazinecarboxylic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H4N2O2 |
Molecular Weight: | 124.099 |
Synonyms: | 3-Carboxypyridazine;NSC 110335; |
Density: | 1.403 g/cm3 |
Melting Point: | 190.3-190.4 °C |
Boiling Point: | 404.2 °C at 760 mmHg |
Flash Point: | 198.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 63.08000 |
LogP: | 0.17480 |
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The 3-Pyridazinecarboxylicacid is an organic compound with the formula C5H4N2O2. It belongs to the product categories of Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Pyridazine. With the CAS registry number 2164-61-6, its IUPAC name is Pyridazine-3-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 3-Pyridazinecarboxylicacid: (1)ACD/LogP: -1.09; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.578; (10)Molar Refractivity: 29.36 cm3; (11)Molar Volume: 88.4 cm3; (12)Surface Tension: 72.1 dyne/cm; (13)Density: 1.403 g/cm3; (14)Flash Point: 198.3 °C; (15)Enthalpy of Vaporization: 69.14 kJ/mol; (16)Boiling Point: 404.2 °C at 760 mmHg; (17)Vapour Pressure: 2.92E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NN=C1)C(=O)O
(2)InChI: InChI=1S/C5H4N2O2/c8-5(9)4-2-1-3-6-7-4/h1-3H,(H,8,9)
(3)InChIKey: RUUOPSRRIKJHNH-UHFFFAOYSA-N