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| CAS No.: | 870459-91-9 |
|---|---|
| Name: | 6-Chloropyridine-2-boronic acid |
| Molecular Structure: | |
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| Formula: | C5H5BClNO2 |
| Molecular Weight: | 157.36 |
| Synonyms: | Boronicacid, (4-chloro-2-pyridinyl)- (9CI); |
| Density: | 1.41 g/cm3 |
| Boiling Point: | 355.2 °C at 760 mmHg |
| Flash Point: | 168.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 53.35000 |
| LogP: | -0.58520 |
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- Total:28 Page 1 of 1 1
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Specification
The Boronic acid, B-(4-chloro-2-pyridinyl)-, with the CAS registry number of 870459-91-9, is also known as 6-Chloropyridine-2-boronic acid and 6-Chloropyridin-2-yl-2-boronic acid. It belongs to the product category of Pyridines. This chemical's molecular formula is C5H5BClNO2 and molecular weight is 157.36. What's more, its IUPAC name is (6-Chloropyridin-2-yl)boronic acid.
Physical properties about Boronic acid, B-(4-chloro-2-pyridinyl)- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 49.8; (7)ACD/KOC (pH 7.4): 2.97; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 35.91 cm3; (14)Molar Volume: 111.1 cm3; (15)Polarizability: 14.23×10-24 cm3; (16)Surface Tension: 56.1 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 168.6 °C; (19)Enthalpy of Vaporization: 63.35 kJ/mol; (20)Boiling Point: 355.2 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cccc(Cl)n1
(2) InChI: InChI=1/C5H5BClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H
(3) InChIKey: GDJTYQJAQCXFFU-UHFFFAOYAG