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Merck
CN

531901

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:
86393-33-1
Molecular Weight:
281.67
NACRES:
NA.22
PubChem Substance ID:
24877846
UNSPSC Code:
12352100
EC Number:
405-050-0
MDL number:
MFCD00792458

Key Documents

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Product Name

7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, 96%

InChI key

ISPVACVJFUIDPD-UHFFFAOYSA-N

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)

SMILES string

OC(=O)C1=CN(C2CC2)c3cc(Cl)c(F)cc3C1=O

assay

96%

mp

242-245 °C (lit.)

functional group

carboxylic acid
chloro
fluoro
ketone

Quality Level

100

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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
GHS07

signalword

Warning

hcodes

H302,H412

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ5204
MKCS8698
MKCP6689
SHBK8833
MKCF2693

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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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