531901

7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

96%

• Synonym(s): Fluoroquinolonic acid, Q-Acid
• Empirical Formula (Hill Notation): C₁₃H₉ClFNO₃
• CAS Number: 86393-33-1
• Molecular Weight: 281.67
• EC Number: 405-050-0
• MDL number: MFCD00792458
• UNSPSC Code: 12352100
• PubChem Substance ID: 24877846
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• mp: 242-245 °C (lit.)
• SMILES string: OC(=O)C1=CN(C2CC2)c3cc(Cl)c(F)cc3C1=O
• InChI: 1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
• InChI key: ISPVACVJFUIDPD-UHFFFAOYSA-N

Description

General description

7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, also known as fluoroquinolonic acid, can be prepared from ethyl 2,4-dichloro-5-fluorobenzoylacetate. It is formed as an intermediate during the synthesis of ciprofloxacin hydrochloride, a fluorinated quinolone antibacterial drug.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H412
• pcodes: P264 - P270 - P273 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable