Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Ethyl-1H-pyrazole-4-boronic acid pinacol ester |
EINECS | N/A |
CAS No. | 847818-70-6 | Density | 1.04 g/cm3 |
PSA | 36.28000 | LogP | 1.20220 |
Solubility | N/A | Melting Point |
44-49°C |
Formula | C11H19BN2O2 | Boiling Point | 322.6 °C at 760 mmHg |
Molecular Weight | 222.095 | Flash Point | 148.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1H-Pyrazole, 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; |
Article Data | 20 |
The CAS register number of 1-Ethyl-1H-pyrazole-4-boronic acid pinacol ester is 847818-70-6. It also can be called as 1H-Pyrazole, 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. The molecular formula about this chemical is C11H19BN2O2 and the molecular weight is 222.0918.
Physical properties about 1-Ethyl-1H-pyrazole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 36.28Å2; (4)Index of Refraction: 1.503; (5)Molar Refractivity: 62.9 cm3; (6)Molar Volume: 212.5 cm3; (7)Polarizability: 24.93x10-24cm3; (8)Surface Tension: 32.2 dyne/cm; (9)Enthalpy of Vaporization: 54.2 kJ/mol; (10)Boiling Point: 322.6 °C at 760 mmHg; (11)Vapour Pressure: 0.000522 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cn(nc2)CC
(2)InChI: InChI=1/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
(3)InChIKey: UGCRHVPUHAXAAE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
(5)Std. InChIKey: UGCRHVPUHAXAAE-UHFFFAOYSA-N