Name: 2,6-Difluoropyridine-3-boronic acid
SKU: 136466-94-9

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Basic Information

Molecular Structure:
CAS No.:	136466-94-9
Name:	2,6-Difluoropyridine-3-boronic acid
Article Data:	13

Formula:	C₅H₄BF₂NO₂
Molecular Weight:	158.9
Synonyms:	Boronic acid,(2,6-difluoro-3-pyridinyl)- (9CI);(2,6-Difluoro-3-pyridinyl)boronic acid;(2,6-Difluoropyridin-3-yl)boronic acid;(2,6-difluoro-3-pyridyl)boronic acid;Boronic acid, B-(2,6-difluoro-3-pyridinyl)-;
Density:	1.44 g/cm³
Melting Point:	168 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
Boiling Point:	314.8 °C at 760 mmHg
Flash Point:	144.2 °C
Solubility:	Soluble in water
Appearance:	White powder
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	26-37
PSA:	53.35000
LogP:	-0.96040

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Specification

The Boronic acid,B-(2,6-difluoro-3-pyridinyl)-, with the CAS registry number 136466-94-9, has the systematic name and IUPAC name of (2,6-difluoro-3-pyridyl)boronic acid. It belongs to the following product categories: Halide; Boronic Acids & Esters; Boronic Acids & Esters; Pyridines; Boronic Acid. And it should be stored at dry and cool environment. The molecular formula of the chemical is C₅H₄BF₂NO₂.

The characteristics of Boronic acid,B-(2,6-difluoro-3-pyridinyl)- are as followings: (1)ACD/LogP:0.34; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):0.313; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5):1.006; (6)ACD/BCF (pH 7.4):1; (7)ACD/KOC (pH 5.5):34.441; (8)ACD/KOC (pH 7.4):6.847; (9)#H bond acceptors:3; (10)#H bond donors:2; (11)#Freely Rotating Bonds:3; (12)Polar Surface Area:53.35 Å²; (13)Index of Refraction:1.483; (14)Molar Refractivity:31.312 cm³; (15)Molar Volume:109.678 cm³; (16)Polarizability:12.413×10^-24cm³; (17)Surface Tension:43.676 dyne/cm; (18)Density:1.449 g/cm³; (19)Flash Point:144.161 °C; (20)Enthalpy of Vaporization:58.696 kJ/mol; (21)Boiling Point:314.758 °C at 760 mmHg; (22)Vapour Pressure:0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1ccc(nc1F)F)(O)O
(2)InChI: InChI=1/C5H4BF2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
(3)InChIKey: LCCZTROJRJFXNV-UHFFFAOYAG