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Name |
Ethyl 4-chloro-2-methylquinoline-6-carboxylate |
EINECS | N/A |
CAS No. | 100375-87-9 | Density | 1.252 g/cm3 |
PSA | 39.19000 | LogP | 3.37330 |
Solubility | N/A | Melting Point |
113-114 °C |
Formula | C13H12ClNO2 | Boiling Point | 355.4 °C at 760 mmHg |
Molecular Weight | 249.69 | Flash Point | 168.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester; |
Article Data | 2 |
The Ethyl 4-chloro-2-methylquinoline-6-carboxylate, with the CAS registry number 100375-87-9, is also known as 6-Quinolinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester. This chemical's molecular formula is C13H12ClNO2 and molecular weight is 249.69. What's more, its systematic name is Ethyl 4-chloro-2-methylquinoline-6-carboxylate.
Physical properties about Ethyl 4-chloro-2-methylquinoline-6-carboxylate are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 68.31 cm3; (9)Molar Volume: 199.3 cm3; (10)Polarizability: 27.08×10-24 cm3; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.252 g/cm3; (13)Flash Point: 168.7 °C; (14)Enthalpy of Vaporization: 60.05 kJ/mol; (15)Boiling Point: 355.4 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-05 mmHg at 25 °C.
Uses of Ethyl 4-chloro-2-methylquinoline-6-carboxylate: it is used to produce other chemicals. For example, it is used to produce 4-Chloro-2-methyl-quinoline-6-carboxylic acid by heating.The reaction needs reagent NaOH and solvent H2O. The reaction time is 20 minutes. The yield is about 80 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccc2nc(cc(Cl)c2c1)C
(2) InChI: InChI=1/C13H12ClNO2/c1-3-17-13(16)9-4-5-12-10(7-9)11(14)6-8(2)15-12/h4-7H,3H2,1-2H3
(3) InChIKey: WWHIKEAYZCGNRF-UHFFFAOYAG