5-Methylisoxazole

The 5-Methylisoxazole, with the CAS registry number 5765-44-6 and EINECS registry number 227-289-8, has the systematic name of 5-methyl-1,2-oxazole. It belongs to the following product categories: Oxazoles, Isoxazoles & Benzoxazoles; Oxazole & Isoxazole; Heterocycles. And the molecular formula of this chemical is C₄H₅NO.

The physical properties of 5-Methylisoxazole are as followings: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 46.86; (8)ACD/KOC (pH 7.4): 46.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 21.46 cm³; (15)Molar Volume: 81.7 cm³; (16)Polarizability: 8.51×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 30 °C; (20)Enthalpy of Vaporization: 34.58 kJ/mol; (21)Boiling Point: 122.7 °C at 760 mmHg; (22)Vapour Pressure: 16.6 mmHg at 25°C.

Uses of 5-Methylisoxazole: It can react with 5-methyl-isoxazole to produce 2-Aethyl-5-methyl-isoxazolium. This reaction will need solvent CH₂Cl₂, and the yield is about 75%. 

You should be cautious while dealing with this chemical. It is a kind of flammable chemical. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: n1oc(cc1)C
(2)InChI: InChI=1/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
(3)InChIKey: AGQOIYCTCOEHGR-UHFFFAOYAW