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| CAS No.: | 343781-53-3 |
|---|---|
| Name: | 2-Pyridinecarboxaldehyde, 3,6-dichloro- |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO |
| Molecular Weight: | 176.002 |
| Synonyms: | 3,6-Dichloropicolinaldehyde;3,6-dichloropyridine-2-carbaldehyde; |
| Density: | 1.489 g/cm3 |
| Boiling Point: | 234.178 °C at 760 mmHg |
| Flash Point: | 95.428 °C |
| PSA: | 29.96000 |
| LogP: | 2.20090 |
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Specification
3,6-Dichloropyridine-2-carbaldehyde is also the systematic name of this chemical. It is a kind of chlorinated heterocyclic series with cas registry number of 343781-53-3.
The physical properties about this chemical are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 290; (8)ACD/KOC (pH 7.4): 290; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 40.887 cm3; (14)Molar Volume: 118.225 cm3; (15)Surface Tension: 52.489 dyne/cm; (16)Density: 1.489 g/cm3; (17)Flash Point: 95.428 °C; (18)Enthalpy of Vaporization: 47.091 kJ/mol; (19)Boiling Point: 234.178 °C at 760 mmHg; (20)Vapour Pressure: 0.054 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(nc(Cl)cc1)C=O;
(2)InChI: InChI=1/C6H3Cl2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H;
(3)InChIKey: AXJGZYKXECWPOM-UHFFFAOYAO