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850881-09-3

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Basic Information
CAS No.: 850881-09-3
Name: 2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Article Data: 9
Molecular Structure:
Molecular Structure of 850881-09-3 (2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Formula: C16H27BO2S
Molecular Weight: 294.266
Synonyms: 2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-Hexylthiophene-2-boronic acid pinacol ester;3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene;3-Hexyl-2-thienylboronic acid;2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 3-Hexyl-2-thiopheneboronic Acid Pinacol Ester;3-Hexyl-2-thiopheneboronic acid pinacol ester
Density: 1 g/cm3
Boiling Point: 385.3 °C at 760 mmHg
Flash Point: 186.8 °C
PSA: 46.70000
LogP: 4.17010
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Specification

The 3-Hexylthiophene-2-boronic acid pinacol ester, with the CAS registry number of 850881-09-3, is also known as 3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene. This chemical's molecular formula is C16H27BO2S and molecular weight is 294.26. What's more, its systematic name is 2-(3-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Physical properties about the 3-Hexylthiophene-2-boronic acid pinacol ester are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 46.7 Å2; (5)Index of Refraction: 1.494; (6)Molar Refractivity: 85.37 cm3; (7)Molar Volume: 292.8 cm3; (8)Surface Tension: 33.6 dyne/cm; (9)Density: 1 g/cm3; (10)Flash Point: 186.8 °C; (11)Enthalpy of Vaporization: 60.93 kJ/mol; (12)Boiling Point: 385.3 °C at 760 mmHg; (13)Vapour Pressure: 8.54E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O1B(OC(C1(C)C)(C)C)c2sccc2CCCCCC
(2) InChI:InChI=1/C16H27BO2S/c1-6-7-8-9-10-13-11-12-20-14(13)17-18-15(2,3)16(4,5)19-17/h11-12H,6-10H2,1-5H3
(3) InChIKey:XCXAUPBHQCCWCI-UHFFFAOYAU