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| CAS No.: | 91591-69-4 |
|---|---|
| Name: | 2-CHLORO-3-FORMYL-6-PICOLINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H6ClNO |
| Molecular Weight: | 155.584 |
| Synonyms: | 2-Chloro-6-methylnicotinaldehyde; |
| EINECS: | 251-156-6 |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 252.331 °C at 760 mmHg |
| Flash Point: | 106.407 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 29.96000 |
| LogP: | 1.85590 |
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- Total:32 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxaldehyde,2-chloro-6-methyl-, with CAS registry number 91591-69-4, belongs to the following product category: Pyridine. It has the systematic name of 2-chloro-6-methyl-pyridine-3-carbaldehyde. Besides this, it is also called 3-pyridinecarboxaldehyde, 2-chloro-6-methyl-. And the chemical formula of this chemical is C7H6ClNO.
Physical properties of 3-Pyridinecarboxaldehyde,2-chloro-6-methyl-: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.202; (4)ACD/LogD (pH 7.4): 1.202; (5)ACD/BCF (pH 5.5): 4.828; (6)ACD/BCF (pH 7.4): 4.828; (7)ACD/KOC (pH 5.5): 107.415; (8)ACD/KOC (pH 7.4): 107.415; (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: 1.581; (14)Molar Refractivity: 40.817 cm3; (15)Molar Volume: 122.549 cm3; (16)Polarizability: 16.181×10-24cm3; (17)Surface Tension: 46.486 dyne/cm; (18)Enthalpy of Vaporization: 48.968 kJ/mol; (19)Vapour Pressure: 0.019 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(n1)Cl)C=O
(2)InChI: InChI=1/C7H6ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(3)InChIKey: SXDBLLSINHOGPK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(5)Std. InChIKey: SXDBLLSINHOGPK-UHFFFAOYSA-N