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8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

CAS 80076-47-7Formula C14H11F2NO3MW 279.24PubChem 12770922

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid is a research-use chemical, structurally related to fluoroquinolone compounds. It is noted as Nadifloxacin Impurity A, making it relevant for studies in pharmaceutical impurity profiling and synthetic chemistry.

Loading RDKit molecule structure...
InChIKey: XUROCEZEOCOWSX-UHFFFAOYSA-NC14H11F2NO3 | MW 279.24

Chemical Identity

Molecular Formula

C14H11F2NO3

Molecular Weight

279.24 g/mol

Exact Mass

279.0707

PubChem CID

12770922

IUPAC Name

7,8-difluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid

SMILES String

CC1CCc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23

Names & Synonyms

C14H11F2NO38,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid(+,-)-8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[i,j]quinoline-2-carboxylic acid8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydro-pyrido[3,2,1-ij]quinoline-2-carboxylic acid8,9-Difluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
Show all synonyms
Nadifloxacin Impurity A8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylicacidF20624F2127287,8-difluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.0^{5,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
External Identifiers
MFCD07772027SCHEMBL8083425DTXSID60509448AKOS015918194AS-17600SY289420CS-0152683

Catalog Overview

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid, with CAS 80076-47-7, is an organic compound characterized by its difluorinated quinoline core and a carboxylic acid functional group. Its molecular formula is C14H11F2NO3 and its molecular weight is 279. 24 g/mol. This compound is recognized as Nadifloxacin Impurity A, indicating its potential utility as a reference standard or starting material in the synthesis and quality control of Nadifloxacin and related fluoroquinolone antibiotics.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid, with CAS 80076-47-7, is an organic compound characterized by its difluorinated quinoline core and a carboxylic acid functional group. Its molecular formula is C14H11F2NO3 and its molecular weight is 279.24 g/mol. This compound is recognized as Nadifloxacin Impurity A, indicating its potential utility as a reference standard or starting material in the synthesis and quality control of Nadifloxacin and related fluoroquinolone antibiotics. Researchers may utilize this compound in medicinal chemistry, drug discovery, and analytical method development for pharmaceutical substances.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline solid

Physical State

Solid

Melting Point

196.0 °C

Boiling Point

400.0 °C

Density

1.5 g/cm³

Water Solubility

1.50e+3 mg/L

Flash Point

224.6 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

1-Cyclopropyl-6,7-difluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acidCAS 119915-47-8
1443348-04-6CAS 1443348-04-6
Ethyl 2-cyano-2-(2,3,4,5,6-pentafluorophenyl)acetateCAS 2340-87-6
54090-42-5CAS 54090-42-5
32333-53-2CAS 32333-53-2

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 2933490000GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.