5-BROMO-2-PHENYLOXAZOLE

The Oxazole,5-bromo-2-phenyl- is an organic compound with the formula C₉H₆BrNO. The systematic name of this chemical is 5-bromo-2-phenyl-1,3-oxazole and the CAS registry number is 92629-11-3. In addition, the molecular weight is 224.05404.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.34; (6)ACD/BCF (pH 7.4): 141.34; (7)ACD/KOC (pH 5.5): 1204.41; (8)ACD/KOC (pH 7.4): 1204.41; (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: 1.58; (14)Molar Refractivity: 48.92 cm³; (15)Molar Volume: 146.9 cm³; (16)Polarizability: 19.39×10^-24 cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.524 g/cm³; (19)Flash Point: 140.2 °C; (20)Enthalpy of Vaporization: 52.7 kJ/mol; (21)Boiling Point: 308.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00125 mmHg at 25°C.

Preparation of Oxazole,5-bromo-2-phenyl-: It can be obtained by 2-phenyl-oxazole. This reaction needs reagents bromine, triethylamine and solvent benzene by heating. The reaction time is 7 hours. The yield is 56%.

Uses of Oxazole,5-bromo-2-phenyl-: It can react with N-methoxy-N-methylacetamide to get 2-phenyl-5-acetyloxazole. This reaction needs reagent BuLi. The yield is 63%.

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1oc(nc1)c2ccccc2
2. InChI:InChI=1/C9H6BrNO/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H 
3. InChIKey:MSXVETKZQOUBNB-UHFFFAOYAA