196886
2-(Trifluoromethyl)benzoic acid
98%
Synonym(s):
α,α,α-Trifluoro-o-toluic acid, 2-Carboxybenzotrifluoride
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About This Item
Linear Formula:
CF3C6H4CO2H
CAS Number:
Molecular Weight:
190.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-093-9
Beilstein/REAXYS Number:
976984
MDL number:
Assay:
98%
Form:
solid
assay
98%
form
solid
bp
247 °C/753 mmHg (lit.)
mp
107-110 °C (lit.)
functional group
carboxylic acid, fluoro
SMILES string
OC(=O)c1ccccc1C(F)(F)F
InChI
1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI key
FBRJYBGLCHWYOE-UHFFFAOYSA-N
Application
2-(Trifluoromethyl)benzoic acid was used in the synthesis of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety. It was also used to investigate the binding of 2-pyridinone and amino acid derivative as ligands with chaperones PapD and FimC by surface plasmon resonance and 1HNMR spectroscopy.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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