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476004-79-2

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Basic Information
CAS No.: 476004-79-2
Name: 2-Pinacolateborylpyrrole
Article Data: 8
Molecular Structure:
Molecular Structure of 476004-79-2 (2-Pinacolateborylpyrrole)
Formula: C10H16BNO2
Molecular Weight: 193.054
Synonyms: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole;
Density: 1.04 g/cm3
Boiling Point: 310.9 °C at 760 mmHg
Flash Point: 141.9 °C
PSA: 34.25000
LogP: 1.31390
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Specification

The 2-Pinacolateborylpyrrole, its cas register number is 476004-79-2. It also can be called as 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole and the Systematic name about this chemicals is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole .

Following are the chemical properties about 2-Pinacolateborylpyrrole: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 34.25Å2; (5)Index of Refraction: 1.488; (6)Molar Refractivity: 53.38 cm3; (7)Molar Volume: 184.9 cm3; (8)Polarizability: 21.16x10-24cm3; (9)Surface Tension: 32.9 dyne/cm; (10)Enthalpy of Vaporization: 52.98 kJ/mol; (11)Vapour Pressure: 0.00106 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cccn2
(2)InChI: InChI=1/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h5-7,12H,1-4H3
(3)InChIKey: YBJLMIJWFHVJQU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h5-7,12H,1-4H3
(5)Std. InChIKey: YBJLMIJWFHVJQU-UHFFFAOYSA-N