2,4,5-Trifluorobenzoic acid

CAS NO.：446-17-3
Empirical Formula: C7H3F3O2
Molecular Weight: 176.09
MDL number: MFCD00013306
EINECS: 610-198-6
SAFETY DATA SHEET (SDS)
Update Date: 2026-01-13 11:13:30

What is 2,4,5-Trifluorobenzoic acid?

Chemical properties

white to light yellow crystal powder

The Uses of 2,4,5-Trifluorobenzoic acid

2,4,5-Trifluorobenzoic Acid is a useful synthetic intermediate. It can be used to synthesize quinolone antibacterial agnts.

Preparation

Synthesis of 2,4,5-trifluorobenzoic acid: Tetrachloroisophthalonitrile was used as the starting material, which was fluoridated, selectively reduced, and partially defluoridated to obtain 2,4,5-trifluoroisophthalonitrile. This compound was hydrolyzed to form 2,4,5-trifluoroisophthalic acid. Then, selective decarboxylation of 2,4,5-trifluorobenzoic acid was carried out to prepare 2,4,5-trifluorobenzoic acid.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 34, p. 168, 1991 DOI: 10.1021/jm00105a025

General Description

2,4,5-Trifluorobenzoic acid is an important quinolone antibacterial intermediate. It is used in the synthesis of Temafloxacin and liquid crystals, among others.

Properties of 2,4,5-Trifluorobenzoic acid

Melting point:	94-96 °C (lit.)
Boiling point:	241.9±35.0 °C(Predicted)
Density	1.4362 (estimate)
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), DMSO (Slightly)
form	Solid
pka	2.87±0.10(Predicted)
color	Off-White
BRN	3257609
CAS DataBase Reference	446-17-3(CAS DataBase Reference)
EPA Substance Registry System	Benzoic acid, 2,4,5-trifluoro- (446-17-3)

Safety information for 2,4,5-Trifluorobenzoic acid

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.