4,5-Dihydro-6-methylpyridazin-3(2H)-one

The 4,5-Dihydro-6-methylpyridazin-3(2H)-one, with the CAS registry number 5157-08-4, is also known as 4,5-Dihydro-6-methyl-3(2H)-pyridazinone. It belongs to the product category of Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C₅H₈N₂O and molecular weight is 112.13. What's more, its systematic name is 6-Methyl-4,5-dihydro-3(2H)-pyridazinone. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. This chemical is used as pharmaceutical intermediates.

Physical properties of 4,5-Dihydro-6-methylpyridazin-3(2H)-one are: (1)ACD/LogP: -0.787; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.89; (8)ACD/KOC (pH 7.4): 8.89; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 29.809 cm³; (15)Molar Volume: 89.975 cm³; (16)Polarizability: 11.817×10^-24cm³; (17)Surface Tension: 42.0 dyne/cm; (18)Density: 1.246 g/cm³.

Preparation: this chemical can be prepared by 4-oxo-pentanoic acid ethyl ester by heating. This reaction will need reagent hydrazine hydrate and solvent ethanol with the reaction time of 4 hours. The yield is about 90%.

Uses of 4,5-Dihydro-6-methylpyridazin-3(2H)-one: it can be used to produce 6-methyl-2H-pyridazin-3-one by heating. It will need reagent selenium dioxide and solvent 2-methoxy-ethanol with the reaction time of 3 hours. The yield is about 66%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N/N=C(/C)CC1
(2)Std. InChI: InChI=1S/C5H8N2O/c1-4-2-3-5(8)7-6-4/h2-3H2,1H3,(H,7,8)
(3)Std. InChIKey: VOTFXESXPPEARL-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02409.