112822-85-2

Basic information

• Product Name: 2,4,5-Trifluoro-3-methylbenzoic acid
• Synonyms: 3-METHYL-2,4,5-TRIFLUOROBENZOIC ACID;2,4,5-TRIFLUORO-3-METHYL BENZOIC ACID;3-Methyl-2,4,5-TrifluorobenzoicAcid99%;3-Methyl-2,4,5-Trifluorobenzoic Acid 99%;4-Methyl-2,4,5-trifluorobenzoic acid
• CAS NO: 112822-85-2
• Molecular Formula: C₈H₅F₃O₂
• Molecular Weight: 190.12
• Product Categories: Benzoic acid
• Mol File: 112822-85-2.mol
• Article Data: 7

Chemical Properties

• Melting Point: 103-105 °C(Solv: hexane (110-54-3))
• Boiling Point: 256.8 °C at 760 mmHg
• Flash Point: 109.1 °C
• Appearance: /
• Density: 1.452 g/cm₃
• Vapor Pressure: 0.00777mmHg at 25°C
• Refractive Index: 1.492
• Storage Temp.: 2-8°C
• PKA: 2.94±0.10(Predicted)
• CAS DataBase Reference: 2,4,5-Trifluoro-3-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-Trifluoro-3-methylbenzoic acid(112822-85-2)
• EPA Substance Registry System: 2,4,5-Trifluoro-3-methylbenzoic acid(112822-85-2)

Safety Data

• Hazardous Substances Data: 112822-85-2(Hazardous Substances Data)

Usage

General Description

2,4,5-Trifluoro-3-methylbenzoic acid is a chemical compound with the molecular formula C8H5F3O2. It is an aromatic carboxylic acid with a trifluoromethyl substituent at the 2, 4, and 5 positions of the benzene ring and a methyl group at the 3 position. 2,4,5-Trifluoro-3-methylbenzoic acid is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also used as a building block in organic chemistry and can be used in the production of specialty chemicals. 2,4,5-Trifluoro-3-methylbenzoic acid is a white to off-white crystalline solid with a melting point of around 128-130°C and is sparingly soluble in water. It is important to handle and store this compound with proper safety precautions due to its potential for causing skin and eye irritation.

InChI:InChI=1/C8H5F3O2/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2H,1H3,(H,12,13)

Upstream product

• 446-17-3 2,4,5-trifluorobenzoic acid 
• 74-88-4 methyl iodide 
• 181942-10-9 2-(2,5,6-trifluoro-3,4-dicarboxyphenyl)-acetic Acid 
• 60-29-7 diethyl ether 
• 112822-83-0 2,4,5-trifluoro-3-methylbenzonitrile 
• 125290-72-4 2-(2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline 
• 132630-83-2 2-(2,4,5-trifluoro-3-methylphenyl)-4,4-dimethyl-2-oxazoline 

Downstream Products

• 112822-88-5 ethyl 2-(2,4,5-trifluoro-3-methylbenzoyl)acetate 
• 132630-87-6 3,6-dimethyl-2,4,5-trifluoro-benzoic acid 
• 479090-47-6 methyl 2,4,5-trifluoro-3-methylbenzoate 
• 167888-38-2 5-amino-1-cyclopropyl-6,7-difluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 
• 182221-84-7 diethyl (2,4,5-trifluoro-3-methyl-6-nitrobenzoyl)malonate 
• 167888-36-0 Ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate 
• 167888-13-3 (Z)-3-Ethoxy-2-(2,4,5-trifluoro-3-methyl-6-nitro-benzoyl)-acrylic acid ethyl ester 
• 167888-34-8 ethyl (2,4,5-trifluoro-3-methyl-6-nitrobenzoyl)acetate 
• 167888-41-7 2,4,5-trifluoro-3-methyl-6-nitrobenzoyl chloride 
• 860768-87-2 1-phenyl-3-(2,4,5-trifluoro-3-methyl-benzoyl)-urea 
• 351368-12-2 N-(cyclopropylcarbomoyl)-2,4,5-trifluoro-3-methylbenzamide 
• 860768-89-4 1-phenyl-6,7-difluoro-8-methyl-1H-quinazoline-2,4-dione 
• 112822-86-3 2,4,5-trifluoro-3-methylbenzamide 
• 112822-84-1 2,4,5-trifluoro-3-methyl-benzamide 

Relevant articles and documents

SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE

High aldehyde dehydrogenase 1A1 (ALDH1A1) activity has emerged as a reliable marker for the identification of both normal and cancer stem cells. Herein, is presented AlDeSense, a turn-on green fluorescent probe for aldehyde dehydrogenase 1A1 (ALDH1A1) and Ctrl-AlDeSense, a matching non-responsive reagent. AlDeSense exhibits a 20-fold fluorescent enhancement when treated with ALDH1A1. Through the application of surface marker antibody staining, tumorsphere assays, and assessment of tumorigenicity, the disclosed results show that cells exhibiting high AlDeSense signal intensity have properties of cancer stem cells. Herein, is also reported the development of a red congener, red-AlDeSense. Importantly, red-AlDeSense represents one of only a few examples of a turn-on sensor in the red region using the d-PeT quenching mechanism.

Synthesis of mono- and di-substituted 2,4,5-trifluorobenzoic acid synthons, key precursors for biologically active 6-fluoroquinolones

In the search for new potent antiparasitical fluoroquinolones, a QSAR analysis by molecular connectivity led to the design of R5 (Me or Et)/R8 (MeO, Me or Et)-substituted analogs of the most powerful antibacterial or antiparasitical

Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials

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.