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CAS No.: | 479613-16-6 |
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Name: | 2-CHLORO-6-METHYLPYRIDINE-4-CARBOXALDEHYDE |
Molecular Structure: | |
Formula: | C7H6ClNO |
Molecular Weight: | 155.584 |
Synonyms: | 2-Chloro-6-methylpyridine-4-carboxaldehyde; |
Density: | 1.269 g/cm3 |
Boiling Point: | 250.4 °C at 760 mmHg |
Flash Point: | 105.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36-43 |
Safety: | 26 |
PSA: | 29.96000 |
LogP: | 1.85590 |
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The cas register number of 2-Chloro-6-methylpyridine-4-carboxaldehyde is 479613-16-6. It also can be called as 4-Pyridinecarboxaldehyde,2-chloro-6-methyl- and the Systematic name about this chemical is 2-chloro-6-methylpyridine-4-carbaldehyde. It belongs to the Pyridines.
Physical properties about 2-Chloro-6-methylpyridine-4-carboxaldehyde are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.37; (5)ACD/BCF (pH 7.4): 9.37; (6)ACD/KOC (pH 5.5): 172.67; (7)ACD/KOC (pH 7.4): 172.67; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 40.81 cm3; (13)Molar Volume: 122.5 cm3; (14)Polarizability: 16.18x10-24cm3; (15)Surface Tension: 46.4 dyne/cm; (16)Enthalpy of Vaporization: 48.77 kJ/mol; (17)Vapour Pressure: 0.0216 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(nc(Cl)c1)C
(2)InChI: InChI=1/C7H6ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-4H,1H3
(3)InChIKey: VXFREJOQLWBEKN-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-4H,1H3
(5)Std. InChIKey: VXFREJOQLWBEKN-UHFFFAOYSA-N