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| Name |
Boronic acid,B-3-quinolinyl-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 850568-71-7 | Density | N/A |
| PSA | 53.35000 | LogP | 0.71660 |
| Solubility | N/A | Melting Point |
190-194 °C |
| Formula | C9H9BClNO2 | Boiling Point | 419.4 °C at 760 mmHg |
| Molecular Weight | 209.44 | Flash Point | 207.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, 3-quinolinyl-, hydrochloride (9CI);3-Quinolineboronic acid hydrochloride;3-Quinolineboronic acid, HCl;Quinoline-3-boronic acid hydrochloride; |
Boronic acid,B-3-quinolinyl-, hydrochloride (1:1) Specification
The systematic name of Boronic acid,B-3-quinolinyl-, hydrochloride (1:1) is 3-quinolylboronic acid hydrochloride. With the CAS registry number 850568-71-7, it is also named as Quinoline-3-boronic acid hydrochloride. The product's categories are Blocks; Boronic Acids; Heterocycles; Quinolines. It should be kept in cold place. In addition, its molecular formula is C9H9BClNO2 and its molecular weight is 209.44.
The other characteristics of Boronic acid,B-3-quinolinyl-, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Flash Point: 207.5 °C; (8)Melting Point: 190-194 °C; (9)Enthalpy of Vaporization: 70.97 kJ/mol; (10)Boiling Point: 419.4 °C at 760 mmHg; (11)Vapour Pressure: 8.74E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1cc2ccccc2nc1)(O)O.Cl
(2)InChI: InChI=1/C9H8BNO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h1-6,12-13H;1H
(3)InChIKey: BQFQABXCFQWPGH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H8BNO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h1-6,12-13H;1H
(5)Std. InChIKey: BQFQABXCFQWPGH-UHFFFAOYSA-N
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