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2-Nitro-5-(trifluoromethyl)benzonitrile is a chemical compound characterized by the molecular formula C8H3F3N2O2. It is a derivative of nitrobenzonitrile, featuring a nitro group and a nitrile group attached to a benzene ring, with an additional trifluoromethyl group consisting of three fluorine atoms. 2-Nitro-5-(trifluoromethyl)benzonitrile serves as a versatile building block in organic synthesis, playing a crucial role in the production of pharmaceuticals, agrochemicals, and other fine chemicals due to its unique structure and functional groups.

16499-52-8

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16499-52-8 Usage

Uses

Used in Pharmaceutical Industry:
2-Nitro-5-(trifluoromethyl)benzonitrile is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its presence in the molecular structure of these compounds can contribute to their therapeutic properties, making it an essential component in drug development.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Nitro-5-(trifluoromethyl)benzonitrile is utilized as a precursor in the production of agrochemicals. Its unique functional groups can be incorporated into the design of new pesticides or herbicides, enhancing their effectiveness in agricultural applications.
Used in Organic Synthesis:
2-Nitro-5-(trifluoromethyl)benzonitrile is used as a valuable intermediate in the synthesis of complex organic compounds. Its versatile structure allows for various chemical reactions, facilitating the creation of a wide range of organic molecules with diverse applications.
Used as a Reagent in Organic Reactions:
2-Nitro-5-(trifluoromethyl)benzonitrile also serves as an important reagent in organic chemistry, enabling specific transformations and reactions that are crucial for the synthesis of target molecules. Its presence can influence the outcome of these reactions, making it a vital tool in the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 16499-52-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,4,9 and 9 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 16499-52:
(7*1)+(6*6)+(5*4)+(4*9)+(3*9)+(2*5)+(1*2)=138
138 % 10 = 8
So 16499-52-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H3F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H

16499-52-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Nitro-5-(trifluoromethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names CL9047

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:16499-52-8 SDS

16499-52-8Relevant academic research and scientific papers

Copper-Catalyzed One-Pot Synthesis of Quinazolinones from 2-Nitrobenzaldehydes with Aldehydes: Application toward the Synthesis of Natural Products

Pal, Shantanu,Sahoo, Subrata

, p. 18067 - 18080 (2021/12/06)

A novel, efficient, and atom-economical approach for the construction of quinazolinones from 2-nitrobenzaldehydes has been unveiled via copper-catalyzed nitrile formation, hydrolysis, and reduction in one pot for the first time. In this reaction, urea is used as a source of nitrogen for nitrile formation, hydrazine hydrate is used for both the reduction of the nitro group and the hydrolysis of nitrile, and atmospheric oxygen is used as the sole oxidant. The method portrays a wide substrate scope with good functional group tolerances. Moreover, this method was applied for the synthesis of schizocommunin, tryptanthrin, phaitanthrin-A, phaitanthrin-B, and 8H-quinazolino[4,3-b]quinazolin-8-one.

SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS

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Paragraph 1537, (2015/12/23)

The present invention provides a novel amide derivative having a matrix metalloproteinase inhibitory activity, and useful as a pharmaceutical agent, which is a compound represented by the formula (I) wherein ring A is an optionally substituted, nitrogen containing heterocycle, ring B is an optionally substituted monocyclic homocycle or an optionally substituted monocyclic heterocycle, Z is N or NR1 (R1 is a hydrogen atom or an optionally substituted hydrocarbon group), is a single bond or a double bond, R2 is a hydrogen atom or an optionally substituted hydrocarbon group, X is an optionally substituted spacer having 1 to 6 atoms, ring C is (1) an optionally substituted homocycle or (2) an optionally substituted heterocycle other than a ring represented by (II) (X′ is S, O, SO, or CH2), and at least one of ring B and ring C has substituent(s), provided that N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]2 hydroxypropyl}5,6 dimethyl 4 oxo 1,4 dihydrothieno[2,3-d]pyrimidine-2-carboxamide is excluded, or a salt thereof.

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