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| CAS No.: | 185423-26-1 |
|---|---|
| Name: | 2,6-DICHLORO-3-HYDROXYPYRIDINE-4-CARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO2 |
| Molecular Weight: | 191.9995 |
| Synonyms: | 2,6-dichloro-3-hydroxypyridine-4-carbaldehyde;4-pyridinecarboxaldehyde, 2,6-dichloro-3-hydroxy-; |
| Density: | 1.645 g/cm3 |
| Boiling Point: | 348.2 °C at 760 mmHg |
| Flash Point: | 164.4 °C |
| PSA: | 50.19000 |
| LogP: | 1.90650 |
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Specification
The 2,6-Dichloro-3-hydroxy-4-pyridinecarboxaldehyde, with the CAS registry number 185423-26-1, has the systematic name of 2,6-dichloro-3-hydroxypyridine-4-carbaldehyde. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C6H3Cl2NO2.
The characteristics of 2,6-Dichloro-3-hydroxy-4-pyridinecarboxaldehyde are as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 67.27; (6)ACD/BCF (pH 7.4): 9.79; (7)ACD/KOC (pH 5.5): 692.34; (8)ACD/KOC (pH 7.4): 100.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.76 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 16.95×10-24cm3; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.645 g/cm3; (19)Flash Point: 164.4 °C; (20)Enthalpy of Vaporization: 61.6 kJ/mol; (21)Boiling Point: 348.2 °C at 760 mmHg; (22)Vapour Pressure: 2.54E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(Cl)cc(C=O)c1O
(2)InChI: InChI=1/C6H3Cl2NO2/c7-4-1-3(2-10)5(11)6(8)9-4/h1-2,11H
(3)InChIKey: HPCFBIVANWQGDD-UHFFFAOYAV