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6-Methylpyridazin-3(2H)-one

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Name

6-Methylpyridazin-3(2H)-one

EINECS 236-367-0
CAS No. 13327-27-0 Density 1.22 g/cm3
PSA 45.75000 LogP 0.07830
Solubility N/A Melting Point 143-145 °C
Formula C5H6N2O Boiling Point 310.3 °C at 760 mmHg
Molecular Weight 110.115 Flash Point 141.5 °C
Transport Information N/A Appearance colorless crystals
Safety 22-24/25 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 13327-27-0 (6-Methylpyridazin-3(2H)-one) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

3-Hydroxy-6-methylpyridazine;4-Methyl-5,6-diaza-2,4-cyclohexadien-1-one;6-Methyl-2H-pyridazin-3-one;6-Methyl-2H-pyridazine-3-one;6-Methyl-3(2H)-pyridazinone;6-Methyl-3-pyridazinone;NSC 10841;NSC 17180;

Article Data 32

6-Methylpyridazin-3(2H)-one Specification

The IUPAC name of 6-Methylpyridazin-3(2H)-one is 3-methyl-1H-pyridazin-6-one. With the CAS registry number 13327-27-0, it is also named as 6-Methylpyridazin-3-one. Besides, it is colorless crystals, which should be stored in closed, cool, dry and ventilated place at room temperature. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C5H6N2O and molecular weight is 110.11.

The other characteristics of this product can be summarized as: (1)EINECS: 236-367-0; (2)ACD/LogP: -0.77; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.77; (5)ACD/LogD (pH 7.4): -0.77; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 9.08; (9)ACD/KOC (pH 7.4): 9.08; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 32.67 Å2; (14)Index of Refraction: 1.576; (15)Molar Refractivity: 29.8 cm3; (16)Molar Volume: 89.9 cm3; (17)Polarizability: 11.81×10-24cm3; (18)Surface Tension: 42.8 dyne/cm; (19)Density: 1.22 g/cm3; (20)Flash Point: 141.5 °C; (21)Melting Point: 143-145 °C; (22)Enthalpy of Vaporization: 57.31 kJ/mol; (23)Boiling Point: 310.3 °C at 760 mmHg; (24)Vapour Pressure: 0.000331 mmHg at 25 °C.

Preparation of 6-Methylpyridazin-3(2H)-one: this chemical can be prepared by the reaction of Hydrazine hydrate with Furfuryl alcohol. Moreover, it can be produced by 6-methyl-4,5-dihydro-2H-pyridazin-3-one.



This reaction needs selenium dioxide and 2-methoxy-ethanol by heating for 3 hours. The yield is 66 %.

Uses of 6-Methylpyridazin-3(2H)-one: this chemical is used as intermediate of sulfa drug. Additionally, it can react with 1-bromo-butane to get 2-butyl-6-methyl-2H-pyridazin-3-one.



This reaction needs KOH, TBAB and benzene at ambient temperature for 5 hours. The yield is 79 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=NNC(=O)C=C1
(2)InChI: InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
(3)InChIKey: QZWIXLPWMGHDDD-UHFFFAOYSA-N

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