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| CAS No.: | 884495-41-4 |
|---|---|
| Name: | 2,3-Dichloropyridine-4-carboxaldehyde |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO |
| Molecular Weight: | 176.002 |
| Synonyms: | 2,3-dichloropyridine-4-carbaldehyde |
| Density: | 1.488 g/cm3 |
| Melting Point: | 94-96 °C |
| Boiling Point: | 262.2 °C at 760 mmHg |
| Flash Point: | 112.4 °C |
| PSA: | 29.96000 |
| LogP: | 2.20090 |
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Specification
This chemical is called 4-Pyridinecarboxaldehyde, 2,3-dichloro-, and its systematic name is 2,3-dichloropyridine-4-carbaldehyde. With the molecular formula of C6H3Cl2NO, its molecular weight is 176.00. The CAS registry number of this chemical is 884495-41-4. Additionally, its product categories are Pyridine; Pyridines.
Other characteristics of the 4-Pyridinecarboxaldehyde, 2,3-dichloro- can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.96 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 40.88 cm3; (11)Molar Volume: 118.2 cm3; (12)Polarizability: 16.2×10-24cm3; (13)Surface Tension: 52.4 dyne/cm; (14)Density: 1.488 g/cm3; (15)Flash Point: 112.4 °C; (16)Enthalpy of Vaporization: 49.99 kJ/mol; (17)Boiling Point: 262.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(C=O)ccnc1Cl
2.InChI: InChI=1/C6H3Cl2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H
3.InChIKey: BSNLYVFMZPQWAJ-UHFFFAOYAV