Product Name

  • Name

    Ethyl 4-chloro-6-methylquinoline-3-carboxylate

  • EINECS
  • CAS No. 56824-87-4
  • Article Data17
  • CAS DataBase
  • Density 1.252g/cm3
  • Solubility
  • Melting Point 64-66℃
  • Formula C13H12ClNO2
  • Boiling Point 346.4 °C at 760 mmHg
  • Molecular Weight 249.697
  • Flash Point 163.3 °C
  • Transport Information
  • Appearance
  • Safety 26-39
  • Risk Codes 41
  • Molecular Structure Molecular Structure of 56824-87-4 (Ethyl 4-chloro-6-methylquinoline-3-carboxylate)
  • Hazard Symbols Xi
  • 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
  • PSA 39.19000
  • LogP 3.37330

Ethyl 4-chloro-6-methylquinoline-3-carboxylate 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

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