42860-04-8

Basic information

• Product Name: 4-Chloro-3-iodobenzoic acid
• Synonyms: BUTTPARK 100\01-50;4-CHLORO-3-IODOBENZOIC ACID;4-Chloro-3-iodonitrobenzene
• CAS NO: 42860-04-8
• Molecular Formula: C₇H₄ClIO₂
• Molecular Weight: 282.46
• Mol File: 42860-04-8.mol
• Article Data: 7

Chemical Properties

• Melting Point: 222-224°C
• Boiling Point: 371.7 °C at 760mmHg
• Flash Point: 178.6 °C
• Appearance: /
• Density: 2.077 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.673
• Storage Temp.: 2-8°C(protect from light)
• Solubility: soluble in Methanol
• PKA: 3.62±0.10(Predicted)
• Sensitive: Light Sensitive
• CAS DataBase Reference: 4-Chloro-3-iodobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-3-iodobenzoic acid(42860-04-8)
• EPA Substance Registry System: 4-Chloro-3-iodobenzoic acid(42860-04-8)

Safety Data

• Hazard Codes: T
• Statements: 36/37/38-41-25
• Safety Statements: 26-36/37/39-45-39-24/25
• Hazardous Substances Data: 42860-04-8(Hazardous Substances Data)

Usage

General Description

4-Chloro-3-iodobenzoic acid is a chemical compound with the molecular formula C7H4ClIO2. It is a derivative of benzoic acid and is classified as an iodophenyl compound. 4-Chloro-3-iodobenzoic acid is used in organic synthesis as a building block for the preparation of various pharmaceuticals, agrochemicals, and dyes. It has also been studied for its potential use in the development of new materials and in medicinal chemistry. 4-Chloro-3-iodobenzoic acid is a solid, white to off-white crystalline substance that is sparingly soluble in water. Its chemical structure and properties make it a versatile and valuable intermediate for the synthesis of a wide range of organic compounds.

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

Upstream product

• 276866-90-1 4-chloro-3-iodobenzaldehyde 
• 16588-34-4 4-chloro-3-nitro-benzaldehyde 
• 74-11-3 para-chlorobenzoic acid 
• 2840-28-0 3-amino-4-chloro-benzoic acid 

Downstream Products

• 903522-13-4 6-chloro-4'-(2,6-difluorobenzamido)-[1,1'-biphenyl]-3-carboxylic acid 
• 877609-69-3 4-chloro-3-iodo-N-(6-methoxy-pyridin-3-yl)-benzamide 
• 710350-72-4 methyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
• 104317-95-5 (4-chloro-3-iodo-phenyl)-methanol 
• 877609-22-8 4-chloro-3-phenylethynyl-benzoic acid 
• 42860-17-3 4-chloro-3-iodo-benzoyl chloride 
• 1542265-53-1 2-(4-chloro-3-iodophenyl)-6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazole 
• 1429617-94-6 4-chloro-3-((trimethylsilyl)ethynyl)benzoic acid methyl ester 
• 1429617-96-8 methyl 4-chloro-3-ethynylbenzoate 

Relevant articles and documents

Water bridges are essential to neonicotinoids: Insights from synthesis, bioassay and molecular modelling studies

Water-bridged H-bonds have been observed in many cases of ligand-receptor recognitions. To explore the roles of water bridges in the binding of neonicotinoids with receptors, twenty-four neonicotinoid compounds with nine fragments, including 1H-1,2,3-tria

Oxidative iodination of deactivated arenes in concentrated sulfuric acid with I2/NaIO4 and KI/NaIO4 iodinating systems

Deactivated arenes were mono- or diiodinated with strong electrophilic I+ reagents, which were prepared from NaIO4 and either I2 or KI in concentrated H2SO4 (minimum 95% by weight). In general a small excess of the dark brown iodinating solution was used (1.1/1.5 equivalents, for nitrobenzene two equivalents was required). The iodinations were conducted at 25-30 °C with a reaction time of 1-2 hours using either a 'direct' or an 'inverse' method of aromatic iodination to give mono- or diiodinated pure products in 31-91% optimized yields. Georg Thieme Verlag Stuttgart.

A Novel Aromatic Iodination Method, with Sodium Periodate Used as the Only Iodinating Reagent

Benzene, halobenzenes and some deactivated arenes readily reacted in anhydrous NaIO4/AcOH/Ac2O/concd. H2SO4 mixtures to afford, after quenching with excess aqueous Na2SO3 solution (a reducing agent), purified iodinated products in 27-88 percent yields. This novel method of aromatic iodination is simple, fairly effective and environmentally safe.