Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Trifluoromethylpyridine-3-boronic acid pinacol ester |
EINECS | N/A |
CAS No. | 1084953-47-8 | Density | 1.227 g/cm3 |
PSA | 31.35000 | LogP | 2.39960 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17BF3NO3 | Boiling Point | 357.889 °C at 760 mmHg |
Molecular Weight | 273.063 | Flash Point | 170.246 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2-Hydroxy-1,1,2-trimethyl-propoxy)-[5-(trifluoromethyl)-3-pyridyl]borinic acid; |
Article Data | 9 |
The chemical with CAS registry number of 1084953-47-8 is known as 5-Trifluoromethylpyridine-3-boronic acid pinacol ester. The systematic name is (2-Hydroxy-1,1,2-trimethyl-propoxy)-[5-(trifluoromethyl)-3-pyridyl]borinic acid. In addition, the formula is C12H17BF3NO3 and the molecular weight is 291.07.
Physical properties about 5-Trifluoromethylpyridine-3-boronic acid pinacol ester are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 1.859; (3)ACD/LogD (pH 7.4): 0.343; (4)ACD/BCF (pH 5.5): 13.438; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 192.61; (7)ACD/KOC (pH 7.4): 5.873; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 65.617 cm3; (13)Molar Volume: 237.226 cm3; (14)Surface Tension: 36.371 dyne/cm; (15)Density: 1.227 g/cm3; (16)Flash Point: 170.246 °C; (17)Enthalpy of Vaporization: 63.66 kJ/mol; (18)Boiling Point: 357.889 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. SMILES: B(c1cc(cnc1)C(F)(F)F)(O)OC(C)(C)C(C)(C)O
2. InChI: InChI=1/C12H17BF3NO3/c1-10(2,18)11(3,4)20-13(19)9-5-8(6-17-7-9)12(14,15)16/h5-7,18-19H,1-4H3
3. InChIKey: MKJJYMMEQFHLQV-UHFFFAOYAV
4. Std. InChI: InChI=1S/C12H17BF3NO3/c1-10(2,18)11(3,4)20-13(19)9-5-8(6-17-7-9)12(14,15)16/h5-7,18-19H,1-4H3
5. Std. InChIKey: MKJJYMMEQFHLQV-UHFFFAOYSA-N