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Cas Database |
| Name |
7-Azaindole-4-boronic acid pinacol ester |
EINECS | N/A |
| CAS No. | 942919-26-8 | Density | 1.15 g/cm3 |
| PSA | 47.14000 | LogP | 1.86210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H17BN2O2 | Boiling Point | 405.7 °C at 760 mmHg |
| Molecular Weight | 244.101 | Flash Point | 199.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 45-24/25 | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; |
Article Data | 4 |
7-Azaindole-4-boronic acid pinacol ester Specification
The 7-Azaindole-4-boronic acid pinacol ester, with the CAS registry number 942919-26-8, has the systematic name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H17BN2O2.
The characteristics of 7-Azaindole-4-boronic acid pinacol ester are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14 Å2; (5)Index of Refraction: 1.563; (6)Molar Refractivity: 68.73 cm3; (7)Molar Volume: 211.4 cm3; (8)Polarizability: 27.24×10-24cm3; (9)Surface Tension: 43.6 dyne/cm; (10)Density: 1.15 g/cm3; (11)Flash Point: 199.2 °C; (12)Enthalpy of Vaporization: 63.18 kJ/mol; (13)Boiling Point: 405.7 °C at 760 mmHg; (14)Vapour Pressure: 2.01E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccnc3c2cc[nH]3
(2)InChI: InChI=1/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16)
(3)InChIKey: OYFHAWAVFVJOBN-UHFFFAOYAJ
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