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| CAS No.: | 5754-18-7 |
|---|---|
| Name: | 3,6-Dihydroxy-4-methylpyridazine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C5H6N2O2 |
| Molecular Weight: | 126.115 |
| Synonyms: | 2-Butenedioicacid, 2-methyl-, cyclic hydrazide, (Z)-;3,6-Dihydroxy-4-methylpyridazine;4-Methyl-3,6-pyridazinediol;NSC 48830;NSC 58527; |
| EINECS: | 227-276-7 |
| Density: | 1.226 g/cm3 |
| Melting Point: | 284-288 °C |
| Boiling Point: | 434.4 °C at 760 mmHg |
| Flash Point: | 216.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 65.72000 |
| LogP: | -0.62840 |
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Specification
The 3,6-Dihydroxy-4-methylpyridazine is an organic compound with the formula C5H6N2O2. The IUPAC name of this chemical is 4-methyl-1,2-dihydropyridazine-3,6-dione. With the CAS registry number 5754-18-7, it is also named as 3,6-Pyridazinedione, 1, 2-dihydro-4-methyl-. The product's category is Heterocyclic Compounds. Besides, it should be stored in a dark, cool, dry place.
Physical properties about 3,6-Dihydroxy-4-methylpyridazine are: (1)ACD/LogP: -0.25; (2)ACD/LogD (pH 5.5): -0.25; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.42; (7)ACD/KOC (pH 7.4): 17.04; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 29.71 cm3; (13)Molar Volume: 102.7 cm3; (14)Polarizability: 11.77×10-24cm3; (15)Surface Tension: 35.7 dyne/cm; (16)Density: 1.226 g/cm3; (17)Flash Point: 216.5 °C; (18)Enthalpy of Vaporization: 71.72 kJ/mol; (19)Boiling Point: 434.4 °C at 760 mmHg; (20)Vapour Pressure: 3.74E-08 mmHg at 25 °C.
Uses of 3,6-Dihydroxy-4-methylpyridazine: it can be used to produce 6-methoxy-2,4-dimethyl-2H-pyridazin-3-one and 1,2,4-trimethyl-1,2-dihydro-pyridazine-3,6-dione at temperature of 140 - 150 °C. The reaction time is 3 hours. The yield is about 68%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C(=C/C(=O)NN1)C
(2)InChI: InChI=1/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)
(3)InChIKey: QAVYOWFNXMHVEL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)
(5)Std. InChIKey: QAVYOWFNXMHVEL-UHFFFAOYSA-N