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Name |
Boronic acid, B-4-pyridinyl-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 913835-65-1 | Density | N/A |
PSA | 53.35000 | LogP | -0.43660 |
Solubility | N/A | Melting Point |
254 °C |
Formula | C5H7BClNO2 | Boiling Point | 330.7 °C at 760 mmHg |
Molecular Weight | 159.38 | Flash Point | 153.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, 4-pyridinyl-, hydrochloride (9CI); |
This chemical is called Boronic acid, B-4-pyridinyl-, hydrochloride (1:1), and its systematic name is 4-pyridylboronic acid hydrochloride. With the molecular formula of C5H7BClNO2, its molecular weight is 159.38. The CAS registry number of this chemical is 913835-65-1. Additionally, its product categories are Blocks; Boronic Acids; Pyridines.
Other characteristics of the Boronic acid, B-4-pyridinyl-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Flash Point: 153.8 °C; (9)Enthalpy of Vaporization: 60.52 kJ/mol; (10)Boiling Point: 330.7 °C at 760 mmHg; (11)Vapour Pressure: 6.52E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccncc1.Cl
2.InChI: InChI=1/C5H6BNO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h1-4,8-9H;1H
3.InChIKey: NCZXYQJUECNKAD-UHFFFAOYAR