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Name |
1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
EINECS | N/A |
CAS No. | 849776-88-1 | Density | 1.07 g/cm3 |
PSA | 36.28000 | LogP | 2.47990 |
Solubility | N/A | Melting Point |
109.5-112 °C |
Formula | C16H21BN2O2 | Boiling Point | 404.6 °C at 760 mmHg |
Molecular Weight | 284.166 | Flash Point | 198.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;5-Methyl-1-phenyl-1h-pyrazole-4-boronic acid pinacol ester; |
The 1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 849776-88-1, is also known as 5-Methyl-1-phenyl-1h-pyrazole-4-boronic acid pinacol ester. This chemical's molecular formula is C16H21BN2O2 and molecular weight is 284.16. What's more, its systematic name is 5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.
Physical properties of 1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 36.28 Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 83.39 cm3; (7)Molar Volume: 264.4 cm3; (8)Polarizability: 33.06×10-24cm3; (9)Surface Tension: 35.2 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 198.5 °C; (12)Enthalpy of Vaporization: 63.05 kJ/mol; (13)Boiling Point: 404.6 °C at 760 mmHg; (14)Vapour Pressure: 2.19E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2c(n(nc2)c3ccccc3)C
(2)InChI: InChI=1S/C16H21BN2O2/c1-12-14(17-20-15(2,3)16(4,5)21-17)11-18-19(12)13-9-7-6-8-10-13/h6-11H,1-5H3
(3)InChIKey: XSUARWLKVRBBKT-UHFFFAOYSA-N