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310867

Sigma-Aldrich

2-Fluoro-4-(trifluoromethyl)benzoic acid

99%

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About This Item

Linear Formula:
FC6H3(CF3)CO2H
CAS Number:
Molecular Weight:
208.11
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

assay

99%

mp

168-170 °C (lit.)

functional group

carboxylic acid
fluoro

SMILES string

OC(=O)c1ccc(cc1F)C(F)(F)F

InChI

1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)

InChI key

OCIYTBZXTFPSPI-UHFFFAOYSA-N

General description

The molecular properties (both steric as well as electronic) of 2-fluoro-4-(trifluoromethyl)benzoic acid has been studied using molecular orbital and empirical methods.

pictograms

Exclamation mark

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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