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| CAS No.: | 176433-49-1 |
|---|---|
| Name: | 2,5-Dichloronicotinaldehyde |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO |
| Molecular Weight: | 176.002 |
| Synonyms: | 2,5-Dichloropyridine-3-carboxaldehyde; |
| Density: | 1.489 g/cm3 |
| Melting Point: | 89-92 °C |
| Boiling Point: | 256.283 °C at 760 mmHg |
| Flash Point: | 108.796 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25-43 |
| Safety: | 36/37-45 |
| PSA: | 29.96000 |
| LogP: | 2.20090 |
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Specification
This chemical is called 2,5-Dichloronicotinaldehyde, and its systematic name is 2,5-dichloropyridine-3-carbaldehyde. With the molecular formula of C6H3Cl2NO, its molecular weight is 176.00. The CAS registry number of this chemical is 176433-49-1.
Other characteristics of the 2,5-Dichloronicotinaldehyde can be summarised as followings: (1)ACD/LogP: 1.72; (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): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 202; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 40.887 cm3; (15)Molar Volume: 118.225 cm3; (16)Polarizability: 16.209×10-24cm3; (17)Surface Tension: 52.489 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 108.796 °C; (20)Enthalpy of Vaporization: 49.379 kJ/mol; (21)Boiling Point: 256.283 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1cc(Cl)cnc1Cl
2.InChI: InChI=1/C6H3Cl2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
3.InChIKey: IJHUAOWEHGGIRB-UHFFFAOYAQ