- 1-Methylindole-5-boronic acid
- 1-Methylindole-5-boronic acid pinacol ester
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Cas Database |
| Name |
1-Methylindole-5-boronic acid pinacol ester |
EINECS | 1592732-453-0 |
| CAS No. | 837392-62-8 | Density | 1.055 g/cm3 |
| PSA | 23.39000 | LogP | 2.47750 |
| Solubility | N/A | Melting Point |
110-114 °C(lit.) |
| Formula | C15H20BNO2 | Boiling Point | 391.324 °C at 760 mmHg |
| Molecular Weight | 257.14 | Flash Point | 190.466 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-Tetramethyl-2-(1-methyl-1H-indol-5-yl)-1,3,2-dioxaborolane; |
Article Data | 24 |
1-Methylindole-5-boronic acid pinacol ester Specification
The 1-Methylindole-5-boronic acid pinacol ester, with CAS registry number 837392-62-8, has the systematic name of 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole. And its IUPAC name is the same one. And the chemical formula of this chemical is C15H20BNO2. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties of 1-Methylindole-5-boronic acid pinacol ester: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å2; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 75.735 cm3; (7)Molar Volume: 243.69 cm3; (8)Polarizability: 30.024×10-24cm3; (9)Surface Tension: 33.473 dyne/cm; (10)Enthalpy of Vaporization: 61.588 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc3ccn(C)c3cc2
(2)InChI: InChI=1/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3
(3)InChIKey: JQLYKUPEQYNDFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3
(5)Std. InChIKey: JQLYKUPEQYNDFF-UHFFFAOYSA-N
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