3-Methyl-1H-pyrazole-4-boronic acid pinacol ester (936250-20-3)

The 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester, its cas register number is 936250-20-3. The Systematic name about this chemical is 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Physical properties about 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14Ų; (5)Index of Refraction: 1.487; (6)Molar Refractivity: 55.8 cm³; (7)Molar Volume: 193.7 cm³; (8)Polarizability: 22.12x10^-24cm³; (9)Surface Tension: 36.7 dyne/cm; (10) Enthalpy of Vaporization: 57.13 kJ/mol; (11)Vapour Pressure: 8.99E-05 mmHg at 25°C

When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. And if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cnnc2C
(2)InChI: InChI=1/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
(3)InChIKey: MSJAEFFWTBMIKT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
(5)Std. InChIKey: MSJAEFFWTBMIKT-UHFFFAOYSA-N