CAS No.1084953-47-8,3-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoroMethyl-pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1084953-47-8
Name:	3-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoroMethyl-pyridine
Article Data:	9

Formula:	C₁₂H₁₇BF₃NO₃
Molecular Weight:	273.063
Synonyms:	(2-Hydroxy-1,1,2-trimethyl-propoxy)-[5-(trifluoromethyl)-3-pyridyl]borinic acid;
Density:	1.227 g/cm³
Boiling Point:	357.889 °C at 760 mmHg
Flash Point:	170.246 °C
PSA:	31.35000
LogP:	2.39960

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Specification

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