13421-00-6

Basic information

• Product Name: 5-Chloro-2-iodobenzoic acid
• Synonyms: 5-CHLORO-2-IODOBENZOIC ACID;BUTTPARK 100\07-48;2-Iodo-5-chlorobenzoic acid;5-Chloro-2-iodobnezoic Acid;Benzoic acid, 5-chloro-2-iodo-
• CAS NO: 13421-00-6
• Molecular Formula: C₇H₄ClIO₂
• Molecular Weight: 282.46293
• Product Categories: Benzoic acid;Acids & Esters;Chlorine Compounds;Iodine Compounds
• Mol File: 13421-00-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 172-174°C
• Boiling Point: 336.352 °C at 760 mmHg
• Flash Point: 157.22 °C
• Appearance: /
• Density: 2.077 g/cm³
• Vapor Pressure: 4.42E-05mmHg at 25°C
• Refractive Index: 1.673
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.49±0.10(Predicted)
• CAS DataBase Reference: 5-Chloro-2-iodobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Chloro-2-iodobenzoic acid(13421-00-6)
• EPA Substance Registry System: 5-Chloro-2-iodobenzoic acid(13421-00-6)

Safety Data

• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39-28
• Hazardous Substances Data: 13421-00-6(Hazardous Substances Data)

Usage

General Description

5-Chloro-2-iodobenzoic acid is a chemical compound with the molecular formula C7H4ClIO2. It is a derivative of benzoic acid, and it consists of a benzene ring with a chlorine atom in the 5 position and an iodine atom in the 2 position. 5-Chloro-2-iodobenzoic acid is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and organic compounds. It is also utilized in the preparation of building blocks for the synthesis of complex molecules. Additionally, 5-Chloro-2-iodobenzoic acid has been studied for its potential biological and medicinal properties, including its anti-proliferative and anti-inflammatory effects. Due to its versatile applications, this chemical compound is of interest to researchers and industries involved in drug discovery and chemical synthesis.

InChI:InChI=1/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Upstream product

• 683238-56-4 2-ethyl-4-chloro-1-iodo-benzene 
• 7697-37-2 nitric acid 
• 535-80-8 3-chlorobenzoate 
• 30273-39-3 2-Ethyl-4-chloroaniline 
• 635-21-2 5-chloroanthranilic acid 
• 23399-70-4 4-chloro-1-iodo-2-methylbenzene 

Downstream Products

• 54435-13-1 5-chloro-2-(4-fluorophenylthio)benzoic acid 
• 82341-38-6 5-Chloro-2-(4-ethoxycarbonyl-phenoxy)-benzoic acid 
• 93288-98-3 5-chloro-2-(2-methylphenylthio)benzoic acid 
• 63186-29-8 5-chloro-2-(4-methoxyphenylthio)benzoic acid 
• 171256-81-8 5-chloro-2-iodobenzoyl chloride 
• 364728-00-7 5-chloro-2-[[1-(2-pyridinyl)-1H-pyrazol-5-yl]amino]benzoic acid 
• 82386-90-1 5-chloro-2-iodobenzyl alcohol 
• 1408444-95-0 5'-chloro-2-iodo-3-phenyl-3'H-spiro[indene-1,1'-isobenzofuran]-3'-one 
• 1408443-10-6 C₁₄H₁₀ClIO₂ 
• 1408443-91-3 benzyl 5-chloro-2-(3-hydroxy-3,3-diphenylprop-1-yn-1-yl)benzoate 
• 1427311-36-1 C₂₄H₂₇ClIN₃O₂ 
• 1505453-59-7 2-((4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methyl-1H-pyrazol-4-yl)-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide 
• 1505453-81-5 C₂₆H₂₄ClN₅O₂ 
• 1380089-79-1 methyl 2-(5-((E)-(((S)-tert-butylsulfinyl)imino)methyl)-3-methylisoxazol-4-yl)-5-chlorobenzoate 

Relevant articles and documents

One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts

Two one-pot procedures for the construction of carbon-bridged diaryliodonium triflates and tetrafluoroborates are described. Strong Br?nsted acids enable the effective Friedel-Crafts alkylation with diversely substituted o-iodobenzyl alcohol derivatives, providing diphenylmethane scaffolds, which are subsequently oxidized and cyclized to the corresponding dibenzo[b,e]iodininium salts. Based on NMR investigations and density functional theory (DFT) calculations, we could verify the so-far-undescribed existence of two stable isomers in cyclic iodonium salts substituted with aliphatic side chains in the carbon bridge.

Palladium-Catalyzed, Norbornene-Mediated, ortho-Amination ipso-Amidation: Sequential C-N Bond Formation

A palladium-catalyzed, norbornene-mediated ortho- and ipso-C-N bond-forming Catellani reaction is reported. This reaction proceeds through a sequential intermolecular amination followed by intramolecular cyclization of a tethered amide. The products, ortho-aminated dihydroquinolinones, were generated in moderate to good yields and are present in bioactive molecules. This work highlights the challenge of competing intra- vs intermolecular palladium-catalyzed processes.

Copper-Catalyzed C(sp3)-S Bond and C(sp2)-S Bond Cross-Coupling of 2-(2-Iodobenzoyl) Substituted or 2-(2-Iodobenzyl) Substituted 1,2,3,4-Tetrahydroisoquinolines with Potassium Sulfide: Synthesis of Isoquinoline-Fused 1,3-Benzothiazine Scaffolds

The sulfuration reaction of 2-(2-iodobenzoyl) substituted, or 2-(2-iodobenzyl) substituted 1,2,3,4-tetrahydroisoquinolines with potassium sulfide proceeded in the presence of copper catalysts to give tetrahydroisoquinoline-fused 1,3-benzothiazine scaffolds in moderate to appropriate yields. This protocol provided an efficient and simple strategy to construct the corresponding benzothiazine derivatives via formation of C(sp3)-S bond and C(sp2)-S bond, which the C-S bonds formed via different routes in this reaction (traditional cross-coupling reaction via the cleavage of C-I bond and oxidative cross-coupling reaction via C(sp3)-H bond functionalization).