14401-75-3

Basic information

• Product Name: 4-(4-CHLOROPHENOXY)IODOBENZENE
• Synonyms: 4-(4-CHLOROPHENOXY)IODOBENZENE;3',5'-DINITROACETOPHENONE;3,5-DINITROACETOPHENONE;3',5'-Dinitroacetophenone 3,5-Dinitroacetophenone;3,5-DINITROACETOPHFNONE;3,5-dinitrophenylmethylketone;,5’3’
• CAS NO: 14401-75-3
• Molecular Formula: C₈H₆N₂O₅
• Molecular Weight: 330.55
• Product Categories: Aromatic Acetophenones & Derivatives (substituted);C7 to C8;Carbonyl Compounds;Ketones
• Mol File: 14401-75-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 81-85 °C(lit.)
• Boiling Point: 267℃
• Flash Point: 115℃
• Appearance: /
• Density: 1.452
• Vapor Pressure: 0.00821mmHg at 25°C
• Refractive Index: 1.598
• CAS DataBase Reference: 4-(4-CHLOROPHENOXY)IODOBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-CHLOROPHENOXY)IODOBENZENE(14401-75-3)
• EPA Substance Registry System: 4-(4-CHLOROPHENOXY)IODOBENZENE(14401-75-3)

Safety Data

• Hazard Codes: Xi
• Statements: 41-43
• Safety Statements: 28-36/39
• WGK Germany: 3
• Hazardous Substances Data: 14401-75-3(Hazardous Substances Data)

Usage

General Description

4-(4-chlorophenoxy)iodobenzene is an organic chemical compound with the molecular formula C12H8ClIO. It is a white to off-white solid with a molecular weight of 334.55 g/mol. 4-(4-CHLOROPHENOXY)IODOBENZENE is commonly used as a reagent in organic synthesis and as a precursor to other important organic compounds. It is widely used in pharmaceutical and agrochemical industries as a building block for the synthesis of various bioactive molecules. 4-(4-chlorophenoxy)iodobenzene is also used in research as a reagent for the introduction of the iodoaryl moiety into organic molecules. It is important to handle this compound with care as it can be toxic and harmful if not used properly.

InChI:InChI=1/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3

Upstream product

• 98-86-2 acetophenone 
• 223414-05-9 α-methoxy-3,5-dinitrostyrene 
• 108-59-8 malonic acid dimethyl ester 
• 99-33-2 3,5-dinitrobenoyl chloride 
• 7664-93-9 sulfuric acid 
• 61340-94-1 3,5-Dinitrobenzoylmalonester 

Downstream Products

• 939044-24-3 3,5-dinitroacetophenone dimethyl ketal 
• 5456-49-5 1-(3-amino-5-nitrophenyl)ethanone 
• 23031-25-6 terbutaline 
• 23031-32-5 terbutaline hemisulfate 
• 1435388-16-1 C₉H₉N₃OS 
• 1198355-58-6 1-(2-fluoro-1,1-dimethoxyethyl)-3,5-dinitrobenzene 
• 126369-45-7 3,5-Dinitrophenylethanol 
• 223414-05-9 α-methoxy-3,5-dinitrostyrene 
• 89891-98-5 ω,ω-Dichlor-3,5-dinitro-acetophenon 
• 113685-64-6 C₁₈H₁₆N₂O₆ 
• 5000-68-0 2-bromo-1-(3,5-dinitro-phenyl)-ethanone 
• 54338-45-3 1-(3,5-dinitro-phenyl)-ethanone oxime 
• 33786-92-4 3,5-diaminoacetophenone 
• 1366000-80-7 5-methyl-5-(3',5'-dinitrophenyl)dipyrromethane 

Relevant articles and documents

Lewis Acidic Boranes, Lewis Bases, and Equilibrium Constants: A Reliable Scaffold for a Quantitative Lewis Acidity/Basicity Scale

A quantitative Lewis acidity/basicity scale toward boron-centered Lewis acids has been developed based on a set of 90 experimental equilibrium constants for the reactions of triarylboranes with various O-, N-, S-, and P-centered Lewis bases in dichloromethane at 20 °C. Analysis with the linear free energy relationship log KB=LAB+LBB allows equilibrium constants, KB, to be calculated for any type of borane/Lewis base combination through the sum of two descriptors, one for Lewis acidity (LAB) and one for Lewis basicity (LBB). The resulting Lewis acidity/basicity scale is independent of fixed reference acids/bases and valid for various types of trivalent boron-centered Lewis acids. It is demonstrated that the newly developed Lewis acidity/basicity scale is easily extendable through linear relationships with quantum-chemically calculated or common physical–organic descriptors and known thermodynamic data (ΔH (Formula presented.)). Furthermore, this experimental platform can be utilized for the rational development of borane-catalyzed reactions.

Structure-reactivity effects on primary deuterium isotope effects on protonation of ring-substituted α-methoxystyrenes

Primary product isotope effects (PIEs) on L+ and carboxylic acid catalyzed protonation of ring-substituted α-methoxystyrenes (X-1) to form oxocarbenium ions X-2+ in 50/50 (v/v) HOH/DOD were calculated from the yields of the α-CH

Contrast media

The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents of formula I wherein n is 0 or 1, and where n is 1 each C6R5moiety may be the same or different; X denotes a bond or a group providing a 1