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196894

Sigma-Aldrich

4-(Trifluoromethyl)benzoic acid

98%

Sinônimo(s):

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

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About This Item

Fórmula linear:
CF3C6H4CO2H
Número CAS:
455-24-3
Peso molecular:
190.12
Beilstein:
2049241
Número CE:
207-242-8
Número MDL:
MFCD00002562
Código UNSPSC:
12352100
ID de substância PubChem:
24851805
NACRES:
NA.22

Nível de qualidade

100

Ensaio

98%

Formulário

powder

pf

219-220 °C (lit.)

grupo funcional

carboxylic acid
fluoro

cadeia de caracteres SMILES

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)

chave InChI

SWKPKONEIZGROQ-UHFFFAOYSA-N

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Categorias relacionadas

Aplicação

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.

Pictogramas

Exclamation mark
GHS07

Palavra indicadora

Warning

Frases de perigo

H315,H319,H335

Classificações de perigo

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

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves

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Certificados de análise (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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