CAS No.388116-27-6,Indole-4-boronic acid pinacol ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	388116-27-6
Name:	Indole-4-boronic acid pinacol ester
Article Data:	1

Formula:	C₁₄H₁₈BNO₂
Molecular Weight:	243.113
Synonyms:	4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;
Density:	1.112 g/cm³
Melting Point:	120-125 °C(lit.)
Boiling Point:	395.997 °C at 760 mmHg
Flash Point:	193.292 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	34.25000
LogP:	2.46710

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Specification

The CAS register number of Indole-4-boronic acid pinacol ester is 388116-27-6. It also can be called as 1H-indole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Physical properties about Indole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39Å²; (5)Index of Refraction: 1.562; (6)Molar Refractivity: 70.93 cm³; (7)Molar Volume: 218.5 cm³; (8)Surface Tension: 39.5 dyne/cm; (9)Density: 1.11 g/cm³; (10)Flash Point: 193.3 °C; (11)Enthalpy of Vaporization: 62.1 kJ/mol; (12)Boiling Point: 396 °C at 760 mmHg; (13)Vapour Pressure: 4.03E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O1B(OC(C)(C)C1(C)C)c3cccc2nccc23
2.InChI: InChI=1/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3
3.InChIKey: QDCIXBBEUHMLDN-UHFFFAOYAT
4.Std. InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3