3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester supplier

Name
ETHYL 4-CHLORO-6-FLUOROQUINOLINE-3-CARBOXYLATE
EINECS
CAS No. 77779-49-8
Article Data12
CAS DataBase
Density 1.354 g/cm3
Solubility
Melting Point 62-63℃
Formula C₁₂H₉ClFNO₂
Boiling Point 332.1 °C at 760 mmHg
Molecular Weight 253.66
Flash Point 154.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Chloro-6-fluoroquinoline-3-carboxylicacid ethyl ester;Ethyl 4-chloro-6-fluoro-3-quinolinecarboxylate;Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;
PSA 39.19000
LogP 3.20400

3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester Specification

The 3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester with CAS registry number of 77779-49-8 is also known as 4-Chloro-6-fluoroquinoline-3-carboxylicacid ethyl ester. The systematic name is Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate. In addition, the formula is C₁₂H₉ClFNO₂ and the molecular weight is 253.66.

Physical properties about 3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 160.66; (5)ACD/BCF (pH 7.4): 160.67; (6)ACD/KOC (pH 5.5): 1320.08; (7)ACD/KOC (pH 7.4): 1320.14; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3 ; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 63.48 cm³; (12)Molar Volume: 187.3 cm³; (13)Surface Tension: 47.9 dyne/cm; (14)Density: 1.354 g/cm³; (15)Flash Point: 154.6 °C; (16)Enthalpy of Vaporization: 57.48 kJ/mol; (17)Boiling Point: 332.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00015 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Fc1ccc2ncc(c(Cl)c2c1)C(=O)OCC
2. InChI: InChI=1/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
3. InChIKey: PPHSOQWURBALSQ-UHFFFAOYAV
4. Std. InChI: InChI=1S/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
5. Std. InChIKey: PPHSOQWURBALSQ-UHFFFAOYSA-N

Product Name

ETHYL 4-CHLORO-6-FLUOROQUINOLINE-3-CARBOXYLATE

3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester Specification

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