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2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is a chemical compound characterized by its molecular formula C11H7F3N and a molecular weight of 217.17 g/mol. It is a white to pale yellow solid that exhibits solubility in organic solvents such as ethanol and ethyl ether. 2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as its utility in the production of dyes and perfumes. Furthermore, it serves as a versatile building block in organic chemistry, facilitating the creation of a diverse array of complex molecules, with its trifluoroacetyl group being particularly valuable for introducing this functional group into organic compounds.

492-16-0

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492-16-0 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides. Its unique structure and reactivity make it a key component in the production of these compounds.
Used in Dye and Perfume Industries:
In the dye and perfume industries, 2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is utilized for the production of dyes and perfumes, enhancing the color and fragrance properties of these products. Its chemical properties allow for the creation of novel dyes and perfumes with improved characteristics.
Used in Organic Chemistry as a Building Block:
2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is employed as a versatile building block in organic chemistry, enabling the synthesis of a wide variety of complex molecules. Its structural features and reactivity make it an essential component in the creation of intricate organic compounds.
Used as a Reagent for Introducing Trifluoroacetyl Group:
2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE is used as a valuable reagent for introducing the trifluoroacetyl functional group into organic compounds. This group imparts unique properties to the resulting compounds, making it useful in various chemical reactions and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 492-16-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,9 and 2 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 492-16:
(5*4)+(4*9)+(3*2)+(2*1)+(1*6)=70
70 % 10 = 0
So 492-16-0 is a valid CAS Registry Number.

492-16-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE

1.2 Other means of identification

Product number -
Other names (trifluoroacetyl)phenylacetonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:492-16-0 SDS

492-16-0Relevant academic research and scientific papers

Synthesis and cytotoxic evaluation of some new 1-(6- chloropyridazin-3-Yl)-3-H/Alkyl-4-phenyl-1H-pyrazol- 5-amines and their derivatives

Mamta,Aggarwal, Ranjana,Smith, Jessie,Sadana, Rachna

, p. 59 - 68 (2019/01/18)

Synthesis of new 1-(6-chloropyridazin-3-yl)-3-H/alkyl-4-phenyl-1H-pyrazol-5-amines (3) was accomplished by the reaction of 3-chloro-6-hydrazinopyridazine (1) with differently substituted β-ketonitriles (2) under reflux in ethanol. Subsequently, a series of 6-amino derivatives (4, 5 and 6) was synthesized by amino-de-halogenation of 3 with secondry cyclic amines e.g. pyrrolidine, piperidine and morpholine respectively. Structures of all the compounds were established by IR, NMR (1H, 13C and 19F) and mass spectral data, and elemental analysis. All the compounds were screened for their cytotoxic effects against three cancer cell lines (SB-ALL, NALM-6, MCF-7) using colorimetric MTT assay.

Ametoctradin is a Potent Qo Site Inhibitor of the Mitochondrial Respiration Complex III

Zhu, Xiaolei,Zhang, Mengmeng,Liu, Jingjing,Ge, Jingming,Yang, Guangfu

, p. 3377 - 3386 (2015/04/14)

Ametoctradin is a new Oomycete-specific fungicide under development by BASF. It is a potent inhibitor of the bc1 complex in mitochondrial respiration. However, its detailed action mechanism remains unknown. In the present work, the binding mode of ametoctradin was first uncovered by integrating molecular docking, MD simulations, and MM/PBSA calculations, which showed that ametoctradin should be a Qo site inhibitor of bc1 complex. Subsequently, a series of new 1,2,4-triazolo[1,5-a]pyrimidine derivatives were designed and synthesized to further understand the substituent effects on the 5- and 6-position of 1,2,4-triazolo[1,5-a]pyrimidine. The calculated binding free energies (ΔGcal) of newly synthesized analogues as Qo site inhibitors correlated very well (R2 = 0.96) with their experimental binding free energies (ΔGexp). Two compounds (4a and 4c) with higher inhibitory activity against porcine SQR than ametoctradin were successfully identified. The structural and mechanistic insights obtained from the present study will provide a valuable clue for future designing of a new promising bc1 inhibitor.

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

-

Page/Page column 19, (2012/11/08)

Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

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