Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Quinolinecarboxylicacid, 4-chloro-6-fluoro-, ethyl ester |
EINECS | N/A |
CAS No. | 77779-49-8 | Density | 1.354 g/cm3 |
PSA | 39.19000 | LogP | 3.20400 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 12 |
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