Oxazole,4-(bromomethyl)-5-phenyl- (368869-94-7)

The IUPAC name of 4-(Bromomethyl)-5-phenyl-1,3-oxazole is 4-(Bromomethyl)-5-phenyl-1,3-oxazole. With the CAS registry number 368869-94-7, it is also named as Oxazole,4-(bromomethyl)-5-phenyl-. The product's molecular formula is C₁₀H₈BrNO and its molecular weight is 238.08. 

The other characteristics of 4-(Bromomethyl)-5-phenyl-1,3-oxazole can be summarized as: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.305; (4)ACD/LogD (pH 7.4): 3.305; (5)ACD/BCF (pH 5.5): 191.412; (6)ACD/BCF (pH 7.4): 191.413; (7)ACD/KOC (pH 5.5): 1496.378; (8)ACD/KOC (pH 7.4): 1496.383; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 53.884 cm³; (15)Molar Volume: 160.229 cm³; (16)Polarizability: 21.361×10^-24cm³; (17)Surface Tension: 46.188 dyne/cm; (18)Density: 1.486 g/cm³; (19)Flash Point: 166.552 °C; (20)Melting point: 50-52 °C; (21)Enthalpy of Vaporization: 57.298 kJ/mol; (22)Boiling Point: 351.783 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4-(Bromomethyl)-5-phenyl-1,3-oxazole may cause burns. So please wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc(cc1)c2c(nco2)CBr
(2)InChI:InChI=1/C10H8BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
(3)InChIKey:WHYSMAZUGYWNJN-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C10H8BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
(5)Std. InChIKey:WHYSMAZUGYWNJN-UHFFFAOYSA-N