5-PHENYLOXAZOLE

This chemical is called Oxazole, 5-phenyl-, and its systematic name is 5-phenyl-1,3-oxazole. With the molecular formula of C₉H₇NO, its product categories are Isoxazoles, Oxadiazoles, Oxazoles. The CAS registry number of this chemical is 1006-68-4. In adition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Oxazole, 5-phenyl- can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.73; (6)ACD/BCF (pH 7.4): 15.73; (7)ACD/KOC (pH 5.5): 250.21; (8)ACD/KOC (pH 7.4): 250.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 41.23 cm³; (15)Molar Volume: 130.7 cm³; (16)Polarizability: 16.34×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 102.8 °C; (20)Enthalpy of Vaporization: 47.92 kJ/mol; (21)Boiling Point: 261.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0186 mmHg at 25°C.

Production method of this chemical: The Oxazole, 5-phenyl- could be obtained by the reactant of 5-phenyl-4-(toluene-4-sulfonyl)-oxazole. This reaction needs the reagents of Na₂HPO₄, Na/Hg, and the solvents of tetrahydrofuran, ethanol. The yield is 100 %. In addition, this reaction should be taken for 4 hours. The other condition is sonication.

Uses of this chemical: The Oxazole, 5-phenyl- could react with butyryl chloride, and obtain the 1-(5'-phenyloxazol-2'-yl)-1-buten-1-yl butenoate. This reaction needs the reagent of (C₂H₅)₃N, and the solvent of CH₂Cl₂. The yield is 34 %. In addition, this reaction should be taken for 18 hours at ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: n1cc(oc1)c2ccccc2
2.InChI: InChI=1/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
3.InChIKey: YPYPBEGIASEWKA-UHFFFAOYAG