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| CAS No.: | 56824-87-4 |
|---|---|
| Name: | Ethyl 4-chloro-6-methylquinoline-3-carboxylate |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C13H12ClNO2 |
| Molecular Weight: | 249.697 |
| Synonyms: | 4-Chloro-6-methylquinoline-3-carboxylic acid ethyl ester;4-chloro-6-methylquinoline-3-carboxylic acid;4-Chloro-6-methyl-3-quinolinecarboxylic acid ethyl ester |
| Density: | 1.252g/cm3 |
| Melting Point: | 64-66℃ |
| Boiling Point: | 346.4 °C at 760 mmHg |
| Flash Point: | 163.3 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 39.19000 |
| LogP: | 3.37330 |
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Specification
The Ethyl 4-chloro-6-methylquinoline-3-carboxylate, with CAS registry number 56824-87-4, has the systematic name of ethyl 4-chloro-6-methylquinoline-3-carboxylate. Besides this, it is also called 4-Chloro-6-methylquinoline-3-carboxylic acid ethyl ester. And the chemical formula of this chemical is C13H12ClNO2.
Physical properties of Ethyl 4-chloro-6-methylquinoline-3-carboxylate: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 313.92; (6)ACD/BCF (pH 7.4): 314.02; (7)ACD/KOC (pH 5.5): 2132; (8)ACD/KOC (pH 7.4): 2132.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 68.31 cm3; (15)Molar Volume: 199.3 cm3; (16)Polarizability: 27.08×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 163.3 °C; (20)Enthalpy of Vaporization: 59.06 kJ/mol; (21)Boiling Point: 346.4 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2cc(ccc2ncc1C(=O)OCC)C
(2)InChI: InChI=1/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-5-4-8(2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
(3)InChIKey: GSIDXMVQPNWNIR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-5-4-8(2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
(5)Std. InChIKey: GSIDXMVQPNWNIR-UHFFFAOYSA-N