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| CAS No.: | 113293-70-2 |
|---|---|
| Name: | 2,6-Dichloropyridine-4-carboxaldehyde |
| Molecular Structure: | |
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| Formula: | C6H3Cl2NO |
| Molecular Weight: | 176.002 |
| Synonyms: | 2,6-Dichloro-4-pyridinecarboxaldehyde;2,6-Dichloroisonicotinaldehyde;ZINC01494996;AC1MC405;2,6-Dichloro-4-formyl pyridine;MolPort-000-003-518;SBB052222;CID2761024; |
| Density: | 1.489 g/cm3 |
| Melting Point: | 47-48 °C |
| Boiling Point: | 276.685 °C at 760 mmHg |
| Flash Point: | 121.135 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 26-36/37 |
| PSA: | 29.96000 |
| LogP: | 2.20090 |
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Specification
The 2,6-Dichloropyridine-4-carboxaldehyde with CAS registry number of 113293-70-2 is also known as 2,6-Dichloroisonicotinaldehyde. The IUPAC name and product name are the same. It belongs to product categories of Pharmacetical; Aldehydes; Pyridines. In addition, the formula is C6H3Cl2NO and the molecular weight is 176.00. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2,6-Dichloropyridine-4-carboxaldehyde are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.191; (4)ACD/LogD (pH 7.4): 2.191; (5)ACD/BCF (pH 5.5): 27.237; (6)ACD/BCF (pH 7.4): 27.237; (7)ACD/KOC (pH 5.5): 370.595; (8)ACD/KOC (pH 7.4): 370.595; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96Å2; (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: 121.135 °C; (20)Enthalpy of Vaporization: 51.521 kJ/mol; (21)Boiling Point: 276.685 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1c(cc(nc1Cl)Cl)C=O
2. InChI: InChI=1/C6H3Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
3. InChIKey: MVCMPKYZHKUBCL-UHFFFAOYAX
4. Std. InChI: InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
5. Std. InChIKey: MVCMPKYZHKUBCL-UHFFFAOYSA-N