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4-Nitro-2-trifluoromethylthiophenol is a chemical compound characterized by its molecular formula C5H3F3NO2S. It is a derivative of thiophene, a heterocyclic compound with a sulfur atom in the ring. The molecule features a nitro group (-NO2) at the 4-position and a trifluoromethyl group (-CF3) at the 2-position, with a hydroxyl group (-OH) attached to the sulfur atom. 4-nitro-2-trifluoromethylthiophenol is known for its potential applications in the synthesis of pharmaceuticals and agrochemicals due to its unique structure and reactivity. It is also of interest in the field of materials science for its possible use in the development of new polymers and other advanced materials. The compound's properties, such as its reactivity and stability, make it a subject of study in organic chemistry and chemical engineering.

400-77-1

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400-77-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 400-77-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 0 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 400-77:
(5*4)+(4*0)+(3*0)+(2*7)+(1*7)=41
41 % 10 = 1
So 400-77-1 is a valid CAS Registry Number.

400-77-1Relevant academic research and scientific papers

Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects

Ajenjo, Javier,Klepetá?ová, Blanka,Greenhall, Martin,Bím, Daniel,Culka, Martin,Rulí?ek, Lubomír,Beier, Petr

, p. 11375 - 11382 (2019)

Direct fluorination of ortho-, meta- and para-substituted aromatic thiols and disulfides using elemental fluorine afforded substituted (pentafluorosulfanyl)benzenes. This work thus represents the first study of the scope and limitation of direct fluorination for the synthesis of new SF5-containing building blocks. Fluorinations in batch and flow modes were compared. A comprehensive computational study was carried out employing density functional and wave function methods to elucidate the reaction mechanism of the transformation of ArSF3 into ArSF5. Eliminating various nonradical pathways, it has been shown that the reaction proceeds by a radical mechanism, initiated by the attack of the F. on the ArSF3 moiety, propagated via an almost barrierless F2+ArSF4 .→ArSF5+F. step and terminated by the ArSF4 .+F.→ArSF5. Most of the calculated data are in very good agreement with experimental observations concerning the ortho-substituent effect on the reaction rates and yields.

DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS

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Page 55, (2010/02/07)

A novel class of dicarboxylic acid derivatives, the use of these compounds as phar-maceutical compositions, pharmaceutical compositions comprising the compounds and meth-ods of treatment employing these compounds and compositions. The present compounds may be useful in the treatment and/or prevention of conditions mediated by Peroxisome Prolifera-tor-Activated Receptors (PPAR).

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