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349666-24-6

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Basic Information
CAS No.: 349666-24-6
Name: 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(1-PYRENYL)-
Article Data: 47
Molecular Structure:
Molecular Structure of 349666-24-6 (1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(1-PYRENYL)-)
Formula: C22H21 B O2
Molecular Weight: 328.219
Synonyms: 4,4,5,5-Tetramethyl-2-(1-pyrenyl)-1,3,2-dioxaborolane
Density: 1.17
Boiling Point: 493.193oC at 760 mmHg
Flash Point: 252.074oC
PSA: 18.46000
LogP: 4.88320
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Chemistry

Molecular Structure of Pyrenyl-1-boronic acid pinacol ester (CAS NO.349666-24-6):

Systematic Name: 4,4,5,5-Tetramethyl-2-(pyren-1-yl)-1,3,2-dioxaborolane 
Molecular Formula: C22H21BO2
Molecular Weight: 328.21
CAS Registry Number: 349666-24-6 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.671
Molar Refractivity: 104.381 cm3
Molar Volume: 279.07 cm3
Surface Tension: 46.357 dyne/cm
Density: 1.176 g/cm3
Flash Point: 252.074 °C
Enthalpy of Vaporization: 73.14 kJ/mol
Boiling Point: 493.193 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O1B(OC(C)(C)C1(C)C)c5c2c4c3c(cc2)cccc3ccc4cc5
InChI: InChI=1/C22H21BO2/c1-21(2)22(3,4)25-23(24-21)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,1-4H3
InChIKey: PHBXSUBZBOVYKO-UHFFFAOYAR

Specification

 Pyrenyl-1-boronic acid pinacol ester (CAS NO.349666-24-6), its Synonyms are 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-pyrenyl)- ; 4,4,5,5-Tetramethyl-2-(1-pyrenyl)-1,3,2-dioxaborolane ; 4,4,5,5-Tetramethyl-2-(1-pyrenyl)-1,3,2-dioxaborolane .