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531901

Sigma-Aldrich

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

96%

Synonym(s):

Fluoroquinolonic acid, Q-Acid

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About This Item

Empirical Formula (Hill Notation):
C13H9ClFNO3
CAS Number:
Molecular Weight:
281.67
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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

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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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid.
Song J, et al.
Acta Crystallographica Section E, Structure Reports Online, 60(4), o503-o504 (2004)

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