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Key Documents

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196894

Sigma-Aldrich

4-(Trifluoromethyl)benzoic acid

98%

Sinonimo/i:

α,α,α-Trifluoro-p-toluic acid, 4-Carboxybenzotrifluoride

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About This Item

Formula condensata:
CF3C6H4CO2H
Numero CAS:
455-24-3
Peso molecolare:
190.12
Beilstein:
2049241
Numero CE:
207-242-8
Numero MDL:
MFCD00002562
Codice UNSPSC:
12352100
ID PubChem:
24851805
NACRES:
NA.22

Livello qualitativo

100

Saggio

98%

Forma fisica

powder

Punto di fusione

219-220 °C (lit.)

Gruppo funzionale

carboxylic acid
fluoro

Stringa SMILE

OC(=O)c1ccc(cc1)C(F)(F)F

InChI

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

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Applicazioni

4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates via N,N′-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.

Pittogrammi

Exclamation mark
GHS07

Avvertenze

Warning

Indicazioni di pericolo

H315,H319,H335

Classi di pericolo

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Organi bersaglio

Respiratory system

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

Dispositivi di protezione individuale

dust mask type N95 (US), Eyeshields, Gloves

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Certificati d'analisi (COA)

Lot/Batch Number
MKCQ6394
MKCM6472
MKCJ9257
MKCF3900
MKBX7522V

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Fabio Ziarelli et al.
Journal of pharmaceutical and biomedical analysis, 59, 13-17 (2011-11-08)
This work shows that high resolution magic angle spinning (HR-MAS) can be used to elucidate ligand-receptor binding phenomena for mass-limited samples in liquid solution. With respect to conventional 5mm liquid-state NMR probe heads, HR-MAS allows for a considerable reduction (about
Martin Krátký et al.
Molecules (Basel, Switzerland), 17(8), 9426-9442 (2012-08-09)
Searching for novel antimicrobial agents still represents a current topic in medicinal chemistry. In this study, the synthesis and analytical data of eighteen salicylanilide esters with 4-(trifluoromethyl)benzoic acid are presented. They were assayed in vitro as potential antimycotic agents against
Ultra trace determination of fluorinated aromatic carboxylic acids in aqueous reservoir fluids by solid phase extraction in combination with negative ion chemical ionisation mass spectrometry after derivatisation with pentafluorobenzyl bromide.
Galdiga CU and Greibrokk T.
Fresenius Journal of Analytical Chemistry, 361(8), 797-802 (1998)
Total synthesis of the C-1027 chromophore core: extremely facile enediyne formation through Sml2-mediated 1,2-elimination.
Masayuki Inoue et al.
Angewandte Chemie (International ed. in English), 47(9), 1777-1779 (2008-01-24)
K H Engesser et al.
Archives of microbiology, 149(3), 198-206 (1988-01-01)
Enzymes of the p-cymene pathway in Pseudomonas putida strains cometabolized the intermediate analogue 4-trifluoromethyl(TFM)benzoate. Three products, 4-TFM-2,3-dihydro-2,3-dihydroxybenzoate, 4-TFM-2,3-dihydroxybenzoate and 2-hydroxy-6-oxo-7,7,7-trifluorohepta-2,4-dienoate (7-TFHOD) were identified chemically and by spectroscopic properties. Certain TFM-substituted analogue metabolites of the p-cymene pathway were transformed at drastically
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