Ethyl 4,6-dichloro-3-quinolinecarboxylate supplier

Name
ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE
EINECS
CAS No. 21168-41-2
Article Data15
CAS DataBase
Density 1.385 g/cm³
Solubility
Melting Point 90-91℃
Formula C₁₂H₉Cl₂NO₂
Boiling Point 351.3 °C at 760 mmHg
Molecular Weight 270.115
Flash Point 166.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl4,6-dichloroquinoline-3-carboxylate;
PSA 39.19000
LogP 3.71830

Ethyl 4,6-dichloro-3-quinolinecarboxylate Specification

The 3-Quinolinecarboxylicacid, 4,6-dichloro-, ethyl ester, with CAS registry number 21168-41-2, has the systematic name of ethyl 4,6-dichloroquinoline-3-carboxylate. Besides this, it is also called Ethyl 4,6-dichloro-3-quinolinecarboxylate. And the chemical formula of this chemical is C₁₂H₉Cl₂NO₂.

Physical properties of 3-Quinolinecarboxylicacid, 4,6-dichloro-, ethyl ester: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.95; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 595.25; (6)ACD/BCF (pH 7.4): 595.27; (7)ACD/KOC (pH 5.5): 3370.77; (8)ACD/KOC (pH 7.4): 3370.87; (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: 1.618; (14)Molar Refractivity: 68.38 cm³; (15)Molar Volume: 195 cm³; (16)Polarizability: 27.1×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.384 g/cm³; (19)Flash Point: 166.3 °C; (20)Enthalpy of Vaporization: 59.6 kJ/mol; (21)Boiling Point: 351.3 °C at 760 mmHg; (22)Vapour Pressure: 4.15E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2ncc(c(Cl)c2c1)C(=O)OCC
(2)InChI: InChI=1/C12H9Cl2NO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
(3)InChIKey: BSSNTDZRVNQGDF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
(5)Std. InChIKey: BSSNTDZRVNQGDF-UHFFFAOYSA-N

Product Name

ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE

Ethyl 4,6-dichloro-3-quinolinecarboxylate Specification

Related Products

Hot Products