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| CAS No.: | 913835-68-4 |
|---|---|
| Name: | 1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-5-YLBORONIC ACID 97 |
| Molecular Structure: | |
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| Formula: | C14H22BNO2Si |
| Molecular Weight: | 275.231 |
| Synonyms: | 1-(TERT-BUTYLDIMETHYLSILYL)-1H-INDOL-5-YLBORONIC ACID 97;1-(tert-Butyldimethylsilyl)-1H-indol-5-ylboronic acid 97%;1-(tert-butyldimethylsilyl)-1H-indol-5-yl-5-boronic acid;1-(tert-Butyldimethylsilyl)-1H-indole-5-boronic acid;1-(tert-ButyldiMethylsilyl)indole-5-boronic acid, 97%;(5-Borono-1H-indol-1-yl)(tert-butyl)dimethylsilane, 5-Borono-1-[(tert-butyl)dimethylsilyl]-1H-indole |
| Density: | 1.01g/cm3 |
| Melting Point: | 248-250°C |
| Boiling Point: | 352.1 °C at 760 mmHg |
| Flash Point: | 166.7 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 45.39000 |
| LogP: | 2.17440 |
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Specification
The 1-(tert-Butyldimethylsilyl)-1H-indol-5-ylboronic acid, with CAS registry number 913835-68-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Indoles Oxindoles. It has the systematic name of {1-[tert-butyl(dimethyl)silyl]-1H-indol-5-yl}boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C14H22BNO2Si.
Physical properties of 1-(tert-Butyldimethylsilyl)-1H-indol-5-ylboronic acid: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1546.54; (6)ACD/BCF (pH 7.4): 1507.13; (7)ACD/KOC (pH 5.5): 6675.78; (8)ACD/KOC (pH 7.4): 6505.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.39 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 81.2 cm3; (15)Molar Volume: 271.5 cm3; (16)Polarizability: 32.19×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 62.99 kJ/mol; (21)Boiling Point: 352.1 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc2c(cc1)n(cc2)[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C14H22BNO2Si/c1-14(2,3)19(4,5)16-9-8-11-10-12(15(17)18)6-7-13(11)16/h6-10,17-18H,1-5H3
(3)InChIKey: PPFZQIOBIOETAS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-9-8-11-10-12(15(17)18)6-7-13(11)16/h6-10,17-18H,1-5H3
(5)Std. InChIKey: PPFZQIOBIOETAS-UHFFFAOYSA-N