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Name |
2,6-Dichloropyridine-4-boronic acid |
EINECS | N/A |
CAS No. | 1072951-54-2 | Density | 1.567 g/cm3 |
PSA | 53.35000 | LogP | 0.06820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4BCl2NO2 | Boiling Point | 396.783 °C at 760 mmHg |
Molecular Weight | 191.809 | Flash Point | 193.768 °C |
Transport Information | N/A | Appearance | off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2,6-Dichloropyridin-4-yl)boronic acid;2,6-Dichloropyridine-4-boronic acid; |
Article Data | 2 |
The Boronic acid, B-(2,6-dichloro-4-pyridinyl)-, with the CAS registry number 1072951-54-2, is also known as 2,6-Dichloropyridine-4-boronic acid. This chemical's molecular formula is C5H4BCl2NO2 and molecular weight is 191.81. What's more, its systematic name is (2,6-dichloropyridin-4-yl)boronic acid.
Physical properties of Boronic acid, B-(2,6-dichloro-4-pyridinyl)- are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.109; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.541; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 72.324; (8)ACD/KOC (pH 7.4): 1.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 40.742 cm3; (15)Molar Volume: 122.377 cm3; (16)Polarizability: 16.151×10-24cm3; (17)Surface Tension: 60.662 dyne/cm; (18)Density: 1.567 g/cm3; (19)Flash Point: 193.768 °C; (20)Enthalpy of Vaporization: 68.247 kJ/mol; (21)Boiling Point: 396.783 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=NC(=C1)Cl)Cl)(O)O
(2)InChI: InChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
(3)InChIKey: JFUQZFQJFYZZGY-UHFFFAOYSA-N
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