Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

5-Trifluoromethylpyridine-3-boronic acid pinacol ester

Related Products

Hot Products

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 Molecular Structure of 1084953-47-8 (3-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoroMethyl-pyridine) Hazard Symbols N/A
Synonyms

(2-Hydroxy-1,1,2-trimethyl-propoxy)-[5-(trifluoromethyl)-3-pyridyl]borinic acid;

Article Data 9

5-Trifluoromethylpyridine-3-boronic acid pinacol ester 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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1084953-47-8