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328154

Sigma-Aldrich

2,4,5-Trifluorobenzoic acid

99%

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About This Item

Linear Formula:
F3C6H2CO2H
CAS Number:
Molecular Weight:
176.09
Beilstein/REAXYS Number:
3257609
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

solid

mp

94-96 °C (lit.)

SMILES string

OC(=O)c1cc(F)c(F)cc1F

InChI

1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

InChI key

AKAMNXFLKYKFOJ-UHFFFAOYSA-N

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General description

2,4,5-Trifluorobenzoic acid is an important quinolone antibacterial intermediate.

Application

2,4,5-Trifluorobenzoic acid was used in preparation of 5-fluoro-2-methoxy-4-methylaminbenzamide.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


Certificates of Analysis (COA)

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Yoshimi Hirokawa et al.
Chemical & pharmaceutical bulletin, 50(7), 941-959 (2002-07-20)
In search of a dopamine D2 and serotonin 5-HT3 receptors dual antagonist as a potential broad antiemetic agent, a number of benzamides were prepared from 4-amino-5-chloro-2-methoxybenzoic acid derivatives and 6-amino-1,4-dialkylhexahydro-1,4-diazepines and evaluated for their binding affinity for the dopamine D2
An Expedient Route to the Quinolone Antibacterial Intermediate, 2, 4, 5-Trifluorobenzoic Acid.
O'Reilly NJ, et al.
Synlett, 1990(10), 609-610 (1990)

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