3,5-Dimethylisoxazole-4-boronic acid pinacol ester

The IUPAC name of 3,5-Dimethylisoxazole-4-boronic acid pinacol ester is 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole. With the CAS registry number 832114-00-8, it is also named as Isoxazole,3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. The product's categories are Heterocyclic Compounds; Boronic ester; Isoxazole; Organoborons; B (Classes of Boron Compounds); Boronic Acids Esters. In addition, its molecular formula is C₁₁H₁₈BNO₃ and molecular weight is 223.08.

The other characteristics of 3,5-Dimethylisoxazole-4-boronic acid pinacol ester can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Rotatable Bond Count: 1; (5)Exact Mass: 223.137974; (6)MonoIsotopic Mass: 223.137974; (7)Topological Polar Surface Area: 44.5; (8)Heavy Atom Count: 16; (9)Complexity: 266; (10)Polar Surface Area: 44.49 Å²; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 58.98 cm³; (13)Molar Volume: 212.2 cm³; (14)Polarizability: 23.38×10^-24cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 1.05 g/cm³; (17)Flash Point: 150.2 °C; (18)Melting point: 95-99 °C; (19)Enthalpy of Vaporization: 54.43 kJ/mol; (20)Boiling Point: 324.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000456 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2c(onc2C)C
(2)InChI: InChI=1/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3
(3)InChIKey: CVLHETBAROWASE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3
(5)Std. InChIKey: CVLHETBAROWASE-UHFFFAOYSA-N