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Key Documents

301388

Sigma-Aldrich

3-(Trifluoromethoxy)benzoic acid

97%

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About This Item

Linear Formula:
CF3OC6H4CO2H
CAS Number:
Molecular Weight:
206.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

89-92 °C (lit.)

SMILES string

OC(=O)c1cccc(OC(F)(F)F)c1

InChI

1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key

OKPFIWIMBJNFSE-UHFFFAOYSA-N

Related Categories

General description

Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied.

pictograms

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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


Certificates of Analysis (COA)

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A W Nicholls et al.
Chemical research in toxicology, 9(8), 1414-1424 (1996-12-01)
High resolution 19F NMR spectroscopy has been used to investigate the kinetics of internal acyl migration and hydrolysis of the synthetic beta -1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl) benzoic acids (TFMBAs) in phosphate buffer solutions at 30 degrees C as

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