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188344

3-(Trifluoromethyl)benzoic acid

Name: 3-(Trifluoromethyl)benzoic acid
Brand: ALDRICH

99%

Synonym(s):

α,α,α-Trifluoro-m-toluic acid, 3-Carboxybenzotrifluoride

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About This Item

Linear Formula:

CF₃C₆H₄CO₂H

CAS Number:

454-92-2

Molecular Weight:

190.12

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851315

EC Number:

207-230-2

Beilstein/REAXYS Number:

2049239

MDL number:

MFCD00002519

Assay:

99%

Form:

solid

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Properties

Quality Segment

100

assay

99%

form

solid

bp

238.5 °C/775 mmHg (lit.)

mp

104-106 °C (lit.)

functional group

carboxylic acid, fluoro

SMILES string

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

InChI

1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key

FQXQBFUUVCDIRK-UHFFFAOYSA-N

Description

General description

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.

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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