Basic Information | Post buying leads | Suppliers |
Name |
Pyridazine-3-boronic acid pinacol ester |
EINECS | N/A |
CAS No. | 1197172-06-7 | Density | 1.128 g/cm3 |
PSA | 44.24000 | LogP | 0.77580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H15BN2O2 | Boiling Point | 394.213 °C at 760 mmHg |
Molecular Weight | 206.05 | Flash Point | 192.213 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen pyridazin-3-ylboronate; |
The Pyridazine-3-boronic acid pinacol ester, with the CAS registry number 1197172-06-7, is also known as Pyridazine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. This chemical's molecular formula is C10H15BN2O2 and molecular weight is 206.05. What's more, its systematic name is 3-Hydroxy-2,3-dimethyl-2-butanyl hydrogenato(2-) 3-pyridazinylboronate.
Physical properties of Pyridazine-3-boronic acid pinacol ester are: (1)ACD/LogP: -0.052; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.47; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.47 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 58.425 cm3; (15)Molar Volume: 198.628 cm3; (16)Polarizability: 23.162×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.128 g/cm3; (19)Flash Point: 192.213 °C; (20)Enthalpy of Vaporization: 67.941 kJ/mol; (21)Boiling Point: 394.213 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccnn1)(O)OC(C)(C)C(C)(C)O
(2)Std. InChI: InChI=1S/C10H17BN2O3/c1-9(2,14)10(3,4)16-11(15)8-6-5-7-12-13-8/h5-7,14-15H,1-4H3
(3)Std. InChIKey: YJTQRJMGDVFADO-UHFFFAOYSA-N