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| CAS No.: | 827614-69-7 |
|---|---|
| Name: | 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H21BN2O2 |
| Molecular Weight: | 236.122 |
| Synonyms: | 1-Propyl-1H-pyrazole-4-boronicacid pinacol ester;1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; |
| Density: | 1.03 g/cm3 |
| Boiling Point: | 338 °C at 760 mmHg |
| Flash Point: | 158.2 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 36.28000 |
| LogP: | 1.59230 |
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Specification
The 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester, with cas registry number 827614-69-7, has the systematic name of 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. And its IUPAC name is the same one.
Physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 36.28 Å2; (5)Index of Refraction: 1.502; (6)Molar Refractivity: 67.51 cm3; (7)Molar Volume: 228.6 cm3; (8)Polarizability: 26.76×10-24cm3; (9)Surface Tension: 32.2 dyne/cm; (10)Enthalpy of Vaporization: 55.83 kJ/mol; (11)Vapour Pressure: 0.000198 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cn(nc2)CCC
(2)InChI: InChI=1/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
(3)InChIKey: BKLGYJWLZWMIDO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
(5)Std. InChIKey: BKLGYJWLZWMIDO-UHFFFAOYSA-N