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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 Level

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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Related Content

FT-NMR Spectra

Spectra - ATR-IR

Spectra for FT-IR Raman

Regioselective dioxygenation of ortho-trifluoromethylbenzoate by Pseudomonas aeruginosa 142: evidence for 1,2-dioxygenation as a mechanism in ortho-halobenzoate dehalogenation.

S A Selifonov et al.

Biochemical and biophysical research communications, 213(3), 759-767 (1995-08-24)

Pseudomonas aeruginosa strain 142 oxidizes 2-halobenzoates via a multicomponent oxygenase (V. Romanov and R.P. Hausinger, J. Bacteriol., 1994, 176(11), 3368-3374). The intermediacy of a highly unstable cis-diol in the reaction has been proposed. Direct evidence for this is currently lacking

Bacterial metabolism of side chain fluorinated aromatics: cometabolism of 3-trifluoromethyl(TFM)-benzoate by Pseudomonas putida (arvilla) mt-2 and Rhodococcus rubropertinctus N657.

K H Engesser et al.

Archives of microbiology, 149(3), 188-197 (1988-01-01)

The TOL plasmid-encoded enzymes of the methylbenzoate pathway in Pseudomonas putida mt-2 cometabolized 3-trifluoromethyl (TFM)-benzoate. Two products, 3-TFM-1,2-dihydroxy-2-hydrobenzoate (3-TFM-DHB) and 2-hydroxy-6-oxo-7,7,7-trifluoro-hepta-2,4-dienoate (7-TFHOD) were identified chemically and by spectroscopic properties. TFM-substituted analogues of the metabolites of the methylbenzoate pathway were generally

Degradation of meta-trifluoromethylbenzoate by sequential microbial and photochemical treatments.

B F Taylor et al.

FEMS microbiology letters, 110(2), 213-216 (1993-06-15)

m- and p-trifluoromethyl (TFM)-benzoates are incompletely degraded by aerobic bacteria that catabolize alkylbenzoates; biodegradation ceases after ring-fission with the accumulation of a trifluoromethyl muconate semialdehyde (2-hydroxy-6-oxo-7,7,7-trifluorohepta-2,4-dienoate, TFHOD) which is resistant to biochemical attack. A bacterium (Strain V-1), isolated from sea-water

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Global Trade Item Number

SKU	GTIN
188344-10G	04061838758828