1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- supplier

Name
5-METHYL-1-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
EINECS
CAS No. 849776-88-1
Density 1.07 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 36.28000
LogP 2.47990

1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

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

Product Name

5-METHYL-1-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

1H-Pyrazole,5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

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