- Pyrazole-3-boronic acid
- Pyrazole-3-boronic acid pinacol ester
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| Name |
Pyrazole-3-boronic acid pinacol ester |
EINECS | N/A |
| CAS No. | 844501-71-9 | Density | 1.091 g/cm3 |
| PSA | 47.14000 | LogP | 0.70890 |
| Solubility | Insoluble in water. | Melting Point |
105-108°C |
| Formula | C9H15BN2O2 | Boiling Point | 335.373 °C at 760 mmHg |
| Molecular Weight | 194.041 | Flash Point | 156.628 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 45-37-26 | Risk Codes | 25-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1H-pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;3-(4,4,5,5-Tetramethyl-1,3,2-dioxabolone)-pyrrazole;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; |
Pyrazole-3-boronic acid pinacol ester Specification
The 1H-Pyrazole,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 844501-71-9, has the systematic name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H15BN2O2.
The characteristics of 1H-Pyrazole,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14 Å2; (5)Index of Refraction: 1.487; (6)Molar Refractivity: 51.18 cm3; (7)Molar Volume: 177.841 cm3; (8)Polarizability: 20.29×10-24cm3; (9)Surface Tension: 37.054 dyne/cm; (10)Density: 1.091 g/cm3; (11)Flash Point: 156.628 °C; (12)Enthalpy of Vaporization: 55.549 kJ/mol; (13)Boiling Point: 335.373 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccnn2
(2)InChI: InChI=1/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h5-6H,1-4H3,(H,11,12)
(3)InChIKey: KWLOIDOKWUESNM-UHFFFAOYAA
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