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Sigma-Aldrich

2,4,6-Trifluorobenzoic acid

98%

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About This Item

Linear Formula:
F3C6H2CO2H
CAS Number:
28314-80-9
Molecular Weight:
176.09
MDL number:
MFCD00042398
UNSPSC Code:
12352100
PubChem Substance ID:
24861349

assay

98%

form

solid

mp

142-145 °C (lit.)

SMILES string

OC(=O)c1c(F)cc(F)cc1F

InChI

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

InChI key

SJZATRRXUILGHH-UHFFFAOYSA-N

General description

2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.[1]

Application

2,4,6-Trifluorobenzoic acid may be used in chemical synthesis.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBR1047V
13611KE
U19587
11123KD
01217KD

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Richard Betz et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 2), o539-o539 (2011-04-28)
In the title compound, C(7)H(3)F(3)O(2), the C-C-C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds between carboxyl groups give rise to the formation of a

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