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Name
1-ETHYL-7-CHLORO-6-FLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
- EINECS 421-280-4
- CAS No. 68077-26-9
- Article Data16
- CAS DataBase
- Density 1.489 g/cm3
- Solubility
- Melting Point 279-281ºC
- Formula C12H9 Cl F N O3
- Boiling Point 437.9 °C at 760 mmHg
- Molecular Weight 269.66
- Flash Point 218.7 °C
- Transport Information
- Appearance White powder
- Safety 61
- Risk Codes 52/53
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Molecular Structure
- Hazard Symbols
- 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
- PSA 59.30000
- LogP 2.51210
Synthetic route
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70458-94-5
1-ethyl-6-fluoro-7-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
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68077-26-9
7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Conditions | Yield |
|---|---|
| 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% |
7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid Chemical Properties
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
7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 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.
7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 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.
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