Indole-4-boronic acid pinacol ester supplier

Name
Indole-4-boronic acid pinacol ester
EINECS
CAS No. 388116-27-6
Article Data1
CAS DataBase
Density 1.112 g/cm³
Solubility
Melting Point 120-125 °C(lit.)
Formula C₁₄H₁₈BNO₂
Boiling Point 395.997 °C at 760 mmHg
Molecular Weight 243.113
Flash Point 193.292 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 34.25000
LogP 2.46710

Indole-4-boronic acid pinacol ester 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

Product Name

Indole-4-boronic acid pinacol ester

Indole-4-boronic acid pinacol ester Specification

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