CAS No.642494-37-9,Indole-7-boronic acid pinacol ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	642494-37-9
Name:	Indole-7-boronic acid pinacol ester
Article Data:	27

Formula:	C₁₄H₁₈BNO₂
Molecular Weight:	243.113
Synonyms:	7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole;7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole;
Density:	1.11 g/cm³
Melting Point:	94-96 °C
Boiling Point:	396 °C at 760 mmHg
Flash Point:	193.3 °C
Hazard Symbols:	Xi
PSA:	34.25000
LogP:	2.46710

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Specification

The Indole-7-boronic acid pinacol ester with cas registry number of 642494-37-9, belongs to the following product categories: (1)Boronic ester; (2)Indole; (3)Organoborons. Its systematic name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole. And its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole. This chemical should keep cold.

Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å²; (5)Index of Refraction: 1.562; (6)Molar Refractivity: 70.93 cm³; (7)Molar Volume: 218.5 cm³; (8)Polarizability: 28.12×10^-24cm³; (9)Surface Tension: 39.5 dyne/cm; (10)Enthalpy of Vaporization: 62.1 kJ/mol; (11)Vapour Pressure: 4.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O1B(OC(C)(C)C1(C)C)c3cccc2ccnc23;
(2)InChI:InChI=1/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-5-6-10-8-9-16-12(10)11/h5-9,16H,1-4H3;
(3)InChIKey:QAXZRSICOHKXML-UHFFFAOYAJ;
(4)Std. InChI:InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-5-6-10-8-9-16-12(10)11/h5-9,16H,1-4H3;
(5)Std. InChIKey:QAXZRSICOHKXML-UHFFFAOYSA-N