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| CAS No.: | 745784-12-7 |
|---|---|
| Name: | 2-Quinolinylboronic acid |
| Molecular Structure: | |
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| Formula: | C9H8BNO2 |
| Molecular Weight: | 172.979 |
| Synonyms: | Boronicacid, 2-quinolinyl- (9CI);Quinolin-2-ylboronic acid;Quinoline-2-boronic acid; |
| EINECS: | -0 |
| Density: | 1.289 g/cm3 |
| Melting Point: | >300 C |
| Boiling Point: | 400.261 °C at 760 mmHg |
| Flash Point: | 195.871 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/38 |
| Safety: | 26-37/39 |
| PSA: | 53.35000 |
| LogP: | -0.08540 |
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Specification
The 2-Quinolinylboronic acid with cas registry number of 745784-12-7 is a kind of classes in Boronic acid; quinoline. Both its systematic name and IUPAC name are the same which is called quinolin-2-ylboronic acid.
The physical properties about this chemical are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 85; (7)ACD/KOC (pH 7.4): 5; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 48.644 cm3; (13)Molar Volume: 134.218 cm3; (14)Surface Tension: 59.111 dyne/cm; (15)Density: 1.289 g/cm3; (16)Flash Point: 195.871 °C; (17)Enthalpy of Vaporization: 68.663 kJ/mol; (18)Boiling Point: 400.261 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. 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: B(c1ccc2ccccc2n1)(O)O;
(2)InChI: InChI=1/C9H8BNO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,12-13H;
(3)InChIKey: DWHCQRBWSBKHMI-UHFFFAOYAT