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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:
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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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