Molecular Structure of 2-Fluoropyridine-5-boronic acid pinacol ester (CAS No.444120-95-0):
Molecular Formula: C11H15BFNO2
Molecular Weight: 223.0517
CAS No: 444120-95-0
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 31.35 Å2
Index of Refraction: 1.477
Molar Refractivity: 57.368 cm3
Molar Volume: 202.855 cm3
Surface Tension: 32.611 dyne/cm
Density: 1.1 g/cm3
Flash Point: 137.78 °C
Enthalpy of Vaporization: 52.28 kJ/mol
Boiling Point: 304.208 °C at 760 mmHg
Vapour Pressure: 0.002 mmHg at 25°C
InChI: InChI=1/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChIKey: ZKSRQMCKFLGPQU-UHFFFAOYAG
Std. InChI: InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
Std. InChIKey: ZKSRQMCKFLGPQU-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
2-Fluoropyridine-5-boronic acid pinacol ester (CAS No.444120-95-0), its synonyms are 2-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-pyridine ; 6-Fluoropyridine-3-boronic acid pinacol ester .
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