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| CAS No.: | 642494-36-8 |
|---|---|
| Name: | Indole-6-boronic acid pinacol ester |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C14H18BNO2 |
| Molecular Weight: | 243.113 |
| Synonyms: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; |
| Density: | 1.112 g/cm3 |
| Melting Point: | 167-172 °C |
| Boiling Point: | 395.997 °C at 760 mmHg |
| Flash Point: | 193.292 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 34.25000 |
| LogP: | 2.46710 |
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Specification
The Indole-6-boronic acid pinacol ester with its cas register number is 642494-36-8. It also can be called as 1H-Indole,6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the Systematic name about this chemical is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole. It belongs to the Indole/indoline/oxindole.
Physical properties about Indole-6-boronic acid pinacol ester are: (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: 1.562; (6)Molar Refractivity: 70.939 cm3; (7)Molar Volume: 218.594 cm3; (8)Polarizability: 28.122x10-24cm3; (9)Surface Tension: 39.533 dyne/cm; (10)Enthalpy of Vaporization: 62.102 kJ/mol .
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc3cc[nH]c3c2
(2)InChI: InChI=1/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-9,16H,1-4H3
(3)InChIKey: VNDFXJNIKZCQRY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11/h5-9,16H,1-4H3
(5)Std. InChIKey: VNDFXJNIKZCQRY-UHFFFAOYSA-N