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Basic Information
CAS No.: 71083-06-2
Name: ETHYL 1,4-DIHYDRO-8-FLUORO-4-OXOQUINOLINE-3-CARBOXYLATE
Molecular Structure:
Molecular Structure of 71083-06-2 (ETHYL 1,4-DIHYDRO-8-FLUORO-4-OXOQUINOLINE-3-CARBOXYLATE)
Formula: C12H10FNO3
Molecular Weight: 235.21
Synonyms: Ethyl8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate;
Density: 1.318 g/cm3
Melting Point: 217-219 °C
Boiling Point: 341.8 °C at 760 mmHg
Flash Point: 160.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 59.16000
LogP: 1.84390
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Specification

The 3-Quinolinecarboxylicacid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester, with its CAS registry number 71083-06-2, has its systematic name of ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate. This chemical has its molecular formula of C12H10FNO3 and molecular weight of 235.21 and it should be kept in the cool and dry place.

Physical properties of 3-Quinolinecarboxylicacid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.98; (6)ACD/BCF (pH 7.4): 49.98; (7)ACD/KOC (pH 5.5): 572.25; (8)ACD/KOC (pH 7.4): 572.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 57.08 cm3; (15)Molar Volume: 178.4 cm3; (16)Polarizability: 22.62×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.318 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.83E-05 mmHg at 25°C.

Use of 3-Quinolinecarboxylicacid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester: It could react with cyclohexylamine to produce 8-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid cyclohexylamide. It needs the reagent of pyridine with the temperature of 125 ℃ for about 30 hours, and its yield is 57.6%.

3-Quinolinecarboxylicacid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester react with cyclohexylamine to produce 8-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid cyclohexylamide

When you are dealing with this chemical, you should be cautious. This is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:Fc1cccc2c1N/C=C(\C2=O)C(=O)OCC
(2)InChI:InChI=1/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15) 
(3)InChIKey:MPUYCZQHTGRPNE-UHFFFAOYAI