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3,6-Dihydroxy-4-methylpyridazine

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Name

3,6-Dihydroxy-4-methylpyridazine

EINECS 227-276-7
CAS No. 5754-18-7 Density 1.226 g/cm3
PSA 65.72000 LogP -0.62840
Solubility N/A Melting Point 284-288 °C
Formula C5H6N2O2 Boiling Point 434.4 °C at 760 mmHg
Molecular Weight 126.115 Flash Point 216.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 5754-18-7 (3,6-Dihydroxy-4-methylpyridazine) Hazard Symbols HarmfulXn
Synonyms

2-Butenedioicacid, 2-methyl-, cyclic hydrazide, (Z)-;3,6-Dihydroxy-4-methylpyridazine;4-Methyl-3,6-pyridazinediol;NSC 48830;NSC 58527;

Article Data 15

3,6-Dihydroxy-4-methylpyridazine 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%.

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

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