7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Basic Information

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CAS Number

68077-26-9

Molecular Formula

C12H9ClFNO3

Molecular Weight

269.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

245°C

Boiling Point

437.9±45.0 °C at 760 mmHg

Density

1.3905 (estimate)

Flash Point

218.7±28.7 °C

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O

InChI

InChI=1S/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-UHFFFAOYSA-N

LogP

2.5121

Topological Polar Surface Area

59.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

412

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

7-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
FT-0621372
SCHEMBL3809668
C2897
831B5OC9PQ
Norfloxacin impurity A [EP]
1-ETHYL-7-CHLORO-6-FLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
M-193324
MFCD00792459
WNNSMMJBBOPPOT-UHFFFAOYSA-N
7-chloro-1-ethyl-6-fluoro-4-oxohydroquinoline-3-carboxylic acid
7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid, 90%
7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
AKOS000276677
C12H9ClFNO3
7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
1-ethyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
NORFLOXACIN IMPURITY A [EP IMPURITY]
DTXSID90333112
CHEMBL29989
AM20061438
CS-0036496
7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid, 90per cent
1-ethyl-6-fluoro-7-chloro-4-oxo1,4-dihydro-quinoline-3-carboxylic acid
1-ethyl-7-chloro-1,4-dihydro-6-fluoro-4-oxoquinoline-3-carboxylic 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
UNII-831B5OC9PQ
NS00036389
1-ethyl-6-fluoro-7-chloro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

MDL Number

MFCD00792459

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 68077-26-9)?

7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is a crystalline compound with a molecular weight of approximately 264.7 g/mol. It has poor water solubility but good solubility in organic solvents like dimethylformamide. The compound is relatively stable but can react with strong bases to form corresponding salts. It is not flammable and has a low reactivity under normal conditions.

How is 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 68077-26-9) typically synthesized?

7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is typically synthesized from 1-ethyl-6-fluoro-3-quinolinecarboxylic acid using chlorination. The reaction involves treatment of the quinoline derivative with chlorine gas in the presence of a suitable catalyst like aluminum chloride. The yield is generally around 70-80%, and the product is purified by recrystallization from a suitable solvent.

What industries use 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 68077-26-9)?

7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is used primarily in the pharmaceutical industry for the synthesis of various bioactive compounds. It is also used in the chemical industry for the development of new materials and in analytical chemistry for the preparation of reagents and standards.

What precautions should be taken when handling 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 68077-26-9)?

When handling 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).