2-Trifluoromethyl-5-pyridineboric acid supplier

Name
2-Trifluoromethyl-5-pyridineboric acid
EINECS
CAS No. 868662-36-6
Article Data7
CAS DataBase
Density 1.44 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₆H₅BF₃NO₂
Boiling Point 274.9 °C at 760 mmHg
Molecular Weight 190.917
Flash Point 120.1 °C
Transport Information
Appearance off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Trifluoromethyl-4-pyrazolylboric acid;2-Trifluoromethyl-pyridine-5-boronic acid;[6-(Trifluoromethyl)-3-pyridyl]boronic acid;6-Trifluoromethylpyridine-3-boronic acid;
PSA 53.35000
LogP -0.21980

2-Trifluoromethyl-5-pyridineboric acid Specification

The 2-Trifluoromethyl-5-pyridineboric acid with CAS registry number of 868662-36-6 is also known as Boronic acid,B-[6-(trifluoromethyl)-3-pyridinyl]-. The systematic name is [6-(Trifluoromethyl)-3-pyridyl]boronic acid. It belongs to product categories of Organoborons; Pyridine; Boronic Acid. In addition, the formula is C₆H₅BF₃NO₂ and the molecular weight is 190.92.

Physical properties about 2-Trifluoromethyl-5-pyridineboric acid are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.25 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.457; (7)Molar Refractivity: 36.07 cm³; (8)Molar Volume: 132.2 cm³; (9)Surface Tension: 38.4 dyne/cm; (10)Density: 1.44 g/cm³; (11)Flash Point: 120.1 °C; (12)Enthalpy of Vaporization: 54.22 kJ/mol; (13)Boiling Point: 274.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00255 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: B(c1ccc(nc1)C(F)(F)F)(O)O
2. InChI: InChI=1/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
3. InChIKey: BNTIPMNMTIAWIW-UHFFFAOYAX
4. Std. InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
5. Std. InChIKey: BNTIPMNMTIAWIW-UHFFFAOYSA-N

Product Name

2-Trifluoromethyl-5-pyridineboric acid

2-Trifluoromethyl-5-pyridineboric acid Specification

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