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2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid is a chemical compound with the molecular formula C8H4F3NO4. It is a derivative of benzoic acid, distinguished by the presence of three fluorine atoms, a methyl group, and a nitro group. 2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID is recognized for its high stability, solubility in organic solvents, and strong acidic properties, making it a valuable building block in the synthesis of pharmaceuticals and agrochemicals for research and industrial applications.

167887-95-8

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167887-95-8 Usage

Uses

Used in Pharmaceutical Industry:
2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to enhance the properties of the final drug products. Its unique structure contributes to the development of new medications with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4,5-trifluoro-3-methyl-6-nitrobenzoic acid is utilized as a precursor in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can lead to enhanced performance and selectivity in controlling pests and unwanted plant growth.
Used in Research and Development:
2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid serves as a building block in the creation of novel compounds for research purposes. Its unique chemical properties allow scientists to explore new avenues in chemical synthesis and develop innovative applications across various fields.
Used in Industrial Applications:
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID is also employed in various industrial applications, where its stability and solubility properties are leveraged to improve the performance of different products, such as coatings, polymers, and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 167887-95-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,7,8,8 and 7 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 167887-95:
(8*1)+(7*6)+(6*7)+(5*8)+(4*8)+(3*7)+(2*9)+(1*5)=208
208 % 10 = 8
So 167887-95-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H4F3NO4/c1-2-4(9)3(8(13)14)7(12(15)16)6(11)5(2)10/h1H3,(H,13,14)

167887-95-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid

1.2 Other means of identification

Product number -
Other names 2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID

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:167887-95-8 SDS

167887-95-8Relevant academic research and scientific papers

Pyridonecarboxylic acid derivatives or salts thereof and antibacterial agents containing the same as the active ingredient

-

, (2008/06/13)

A novel pyridonecarboxylic acid derivative or its salt exhibiting satisfactory antibacterial activities, intestinal absorption, metabolic stability, and reduced side effects, in particular, phototoxicity and cytotoxicity, as well as an antibacterial agent

Quinoline carboxylic acid

-

, (2008/06/13)

5-Amino-7-((3S,4S)-3-amino-4-methyl (or ethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid or a pharmacologically acceptable salt thereof represented by the following formula wherein asymmetric carbon atoms

Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials

-

, (2008/06/13)

This invention relates to a N1 -(halogenocyclopropyl)-substituted pyridonecarboxylic acid derivative represented by the following formula (I): STR1 wherein X1 is a halogen atom or a hydrogen atom; X2 is a halogen atom; R1 is a hydrogen atom, a hydroxyl group, a thiol group, a halogenomethyl group, an amino group, an alkyl group or an alkoxy group which may have a substituent group; R2 is a group represented by the following formula (II): STR2 wherein R3 and R4 are independently a hydrogen atom or an alkyl group and n is an integer of 1 or 2; A is a nitrogen atom or a partial structure of the following formula (III): STR3 wherein X3 is a hydrogen atom, a halogen atom, a cyano group, an amino group, an alkyl group, a halogenomethyl group, an alkoxyl group or a halogenomethoxyl group which may have a substituent group; and R is a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidynyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, a 3-acetoxy-2-oxobutyl group, an alkyl group, an alkoxymethyl group or a phenylalkyl group, and provides a heterocyclic compound useful as antibacterial drugs.

Studies on quinolone antibacterials. IV. Structure-activity relationships of antibacterial activity and side effects for 5- or 8-substituted and 5,8- disubstituted-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-4- oxoquinoline-3-carboxylic acids

Yoshida,Yamamoto,Orita,Kakiuchi,Takahashi,Itakura,Kado,Mitani,Yasuda,Kato,Itoh

, p. 1074 - 1085 (2007/10/03)

A series of 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-4- oxoquinoline-3-carboxylic acids bearing various substituents (H, F, Cl, Me, OH, OMe, OEt, OCH2F, OCHF2, OCF3, SMe) at the C-8 position was prepared and evaluated for in vitro antibacterial activity against both standard laboratory strains and bacteria resistant to quinolones such as ciprofloxacin (CPFX, 1) and ofloxacin (OFLX, 2) from clinical isolates. The 8-methyl (8a), 8-fluoro (9a), 8-chloro (10a) and 8-methoxy (12a) compounds were 4 times more potent than CPFX (1) against both gram-positive and gram-negative bacteria. But these four compounds caused injury to the chromosomes of mammalian cells at a concentration of 100 μg/ml. Next, a series of quinolones having various substituents (H, Cl, Me, NH2, NHMe, NMe2) at the C-5 position was prepared and evaluated for antibacterial activity and injurious effect on the chromosome. We found that the 5-amino-8-methyl compound (8d) showed strong antibacterial activity (in vitro antibacterial activity of 8d is 4 times more potent than that of CPFX (1) against both gram-positive and gram-negative bacteria), reduced injury to the chromosome, and reduced quinolone-type toxicity (free from both phototoxicity at a dosage of 30 mg/kg in guinea pigs (i.v.) and convulsion-inducing activity when coadministered with fenbufen at a dosage of 100 mg/kg in mice (i.p.)).

5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative

-

, (2008/06/13)

A 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative represented by the general formula: STR1 wherein R1 is a hydrogen atom or a lower alkyl group; R2 is a hydrogen atom, a lower alkyl group, a lower alkanoyl group, a halogenated lower alkanoyl group or a residue of carboxylic acid ester; R3 is a hydrogen atom or a lower alkyl group; R4, R5 or R6 are each independently a hydrogen atom or a lower alkyl group; or two of R4, R5 and R6 may be taken together to form a --(CH2)n -group wherein n is 1 or 2, a stereoisomer thereof, or a pharmacologically acceptable salt thereof, the process for preparing these compounds, a pharmaceutical composition comprising an effective amount of these compounds and methods for the treatment of infectious diseases through the administration to patients of an effective amount of these compounds, and intermediates of these compounds are disclosed. These compounds are effective as antibacterial agents.

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