26020-48-4

Basic information

• Product Name: 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID
• Synonyms: 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID;3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID, 98+%
• CAS NO: 26020-48-4
• Molecular Formula: C₅HCl₃O₂S
• Molecular Weight: 231.48
• Mol File: 26020-48-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 226-228°C
• Boiling Point: 335.6 °C at 760 mmHg
• Flash Point: 156.7 °C
• Appearance: /
• Density: 1.818 g/cm³
• Vapor Pressure: 4.67E-05mmHg at 25°C
• Refractive Index: 1.646
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 2.89±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 155175
• CAS DataBase Reference: 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID(26020-48-4)
• EPA Substance Registry System: 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID(26020-48-4)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 26020-48-4(Hazardous Substances Data)

Usage

General Description

3,4,5-Trichlorothiophene-2-carboxylic acid is a chemical compound with the molecular formula C6H2Cl3O2S. It is a member of the thiophene family and is characterized by the presence of three chlorine atoms on the thiophene ring and a carboxylic acid group at the 2-position. 3,4,5-TRICHLOROTHIOPHENE-2-CARBOXYLIC ACID is often used in the synthesis of various pharmaceuticals and agrochemicals, due to its potential as a building block in organic synthesis. Its unique structure and reactivity make it a valuable intermediate in the production of a wide range of chemical compounds with diverse applications. Furthermore, it has exhibited potential biological activities, making it a subject of interest in medicinal chemistry research.

InChI:InChI=1/C5HCl3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)

Upstream product

• 6012-97-1 2,3,4,5-tetrachlorothiophene 
• 124-38-9 carbon dioxide 
• 78665-33-5 C₄BrCl₃MgS 
• 71105-25-4 3,4,5-trichloro-2-thiophenecarbonitrile 
• 17249-78-4 2,3,4-trichlorothiophene 

Downstream Products

• 17249-78-4 2,3,4-trichlorothiophene 
• 34721-65-8 perchloro-2,2'-bithiophene 
• 1393456-36-4 C₁₅H₆Cl₃F₃OS 
• 24422-15-9 3,4,5-Trichlorothien-2-carboxylic acid chloride 
• 109-52-4 valeric acid 
• 81730-28-1 3,4,5-Trichloro-thiophene-2-carboxylic acid benzyl ester 
• 81730-19-0 3,4,5-trichlorothiophen-2-carboxylic acid ethyl ester 
• 81730-20-3 3,4,5-Trichloro-thiophene-2-carboxylic acid propyl ester 
• 81730-18-9 methyl 3,4,5-trichloro-2-thiophenecarboxylate 

Relevant articles and documents

The Reaction of 2,3,4-Trichlorothiophene with Alkyllithium Reagents

2,3,4-Trichlorothiophene undergoes metal-hydrogen exchange with one equivalent of butyllithium in THF at -78 deg C to give trichloro-2-thienyllithium in 91percent yield.No metal-halogen exchange is observed to have taken place.With t-butyllithium under similar conditions, however, the metal-halogen exchange reaction occurs but only to the extent of 8percent; the main reaction remains to be the metal-hydrogen exchange. 2,3,4-Trichlorothiophene reacts with two equivalents of butyllithium in ether at -5 deg C to give 3,4-dichloro-2,5-dilithiothiophene in 96percent yield. - Keywords: 3,4-Dichloro-2,5-dilithiothiophene; Lithium-chlorine exchange; Trichloro-2-thienyllithium; 2,3,4-Trichlorothiophene

Reaction of 2,3,4-Trichlorothiopene and Tetrachlorothiophene with Ethylmagnesium Bromide. Preparation of Trichloro-2-thienylmagnesium Bromide and 2,5-Bis(Bromomagnesium)-3,4-Dichlorothiophene

Metal-hydrogen exchange between ethylmagnesium bromide and 2,3,4-trichlorothiophene in THF gives trichloro-2-thienylmagnesium bromide in at least 86percent yield.Similarly, metal-halogen exchange between tetrachlorothiophene and ethylmagnesium bromide produces trichloro-2-thienylmagnesium bromide in 84percent yield.The reaction of two and a half equivalents of ethylmagnesium bromide with 2,3,4-trichlorothiophene yields a mixture of trichloro-2-thienylmagnesium bromide (40percent) and 2,5-bis(Bromomagnesium)-3,4-dichlorothiophene (41percent).The Grignard reagents were characterised by converting them into the corresponding known trimethylsilylderivatives and carboxylic acids.