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68077-26-9

Basic Information
CAS No.: 68077-26-9
Name: 3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
Molecular Structure:
Molecular Structure of 68077-26-9 (3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-)
Formula: C12H9 Cl F N O3
Molecular Weight: 269.6562
Synonyms: 1-Ethyl-1,4-dihydro-4-oxo-6-fluoro-7-chloro-3-quinolinecarboxylicacid; 1-Ethyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;7-Chloro-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid;7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;7-Chloro-1-ethyl-6-fluoroquinolin-4-one-3-carboxylic acid; CGA 78039; M 193324
EINECS: 421-280-4
Density: 1.489 g/cm3
Melting Point: 279-281ºC
Boiling Point: 437.9 °C at 760 mmHg
Flash Point: 218.7 °C
Solubility:
Appearance: White powder
Hazard Symbols:
Risk Codes: 52/53
Safety: 61
Transport Information:
PSA: 59.30000
LogP: 2.51210
Synthetic route
70458-94-5

1-ethyl-6-fluoro-7-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

68077-26-9

7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Conditions
ConditionsYield
Stage #1: 1-ethyl-6-fluoro-7-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester With water; sodium hydroxide In ethanol at 90℃; for 1.5h;
Stage #2: With hydrogenchloride In ethanol; water pH=2;
92%
With sulfuric acid In water; acetic acid for 1.5h; Heating;91%
With water; sodium hydroxide In ethanol for 2.5h; Reflux;91%
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Chemistry

Empirical Formula: C12H9ClFNO3
Molecular Weight: 269.6562g/mol
EINECS: 421-280-4 
Structure of 3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- (CAS NO.68077-26-9):

Index of Refraction: 1.601
Molar Refractivity: 62.04 cm3
Molar Volume: 181 cm3
 Polarizability: 24.59×10-24cm3
Surface Tension: 55.7 dyne/cm
Density: 1.489 g/cm3
Flash Point: 218.7 °C
Enthalpy of Vaporization: 73.22 kJ/mol
Boiling Point: 437.9 °C at 760 mmHg
Vapour Pressure: 1.92E-08 mmHg at 25°C 
Physical Appearance: White powder 
Systematic Name: 7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES: Fc2c(Cl)cc1c(C(=O)\C(=C/N1CC)C(=O)O)c2
InChI: InChI=1/C12H9ClFNO3/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)
InChIKey: WNNSMMJBBOPPOT-UHFFFAOYAV

Safety Profile

Risk Statements: 52/53
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.  

Specification

  3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- , its cas register number is 68077-26-9. It also can be called 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid  ; 1-Ethyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid . 3-Quinolinecarboxylicacid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- (CAS NO.68077-26-9) is harmful to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment.