404337-42-4

Basic information

• Product Name: 5-Chloro-2-iodo-M-xylene
• Synonyms: 5-Chloro-2-iodo-M-xylene
• CAS NO: 404337-42-4
• Molecular Formula: C₈H₈ClI
• Molecular Weight: 266.50659
• Mol File: 404337-42-4.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 5-Chloro-2-iodo-M-xylene(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Chloro-2-iodo-M-xylene(404337-42-4)
• EPA Substance Registry System: 5-Chloro-2-iodo-M-xylene(404337-42-4)

Safety Data

• Hazardous Substances Data: 404337-42-4(Hazardous Substances Data)

Usage

General Description

5-Chloro-2-iodo-M-xylene is a chemical compound that falls under the category of halogenated aromatic hydrocarbons. It is a derivative of xylene, with chlorine and iodine substitutions on the benzene ring. 5-Chloro-2-iodo-M-xylene is primarily used as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is also commonly employed in the synthesis of various organic compounds. 5-Chloro-2-iodo-M-xylene is known for its reactivity and solubility in organic solvents, making it a versatile building block for chemical reactions and processes. Additionally, it may have potential applications in research and development, particularly in the field of organic chemistry and chemical synthesis.

Upstream product

• 24596-18-7 4-chloro-2,6-dimethylaniline 

Downstream Products

• 404337-43-5 bis(4-chloro-2,6-dimethylphenyl)ketimine 
• 5757-67-5 4-chloro-2,6-dimethylbenzonitrile 
• 404337-44-6 diazobis(4-chloro-2,6-dimethylphenyl)methane 
• 1034980-68-1 1-(4-chloro-2,6-dimethylphenyl)propan-1-ol 
• 1140509-39-2 5-chloro-2-(hex-1-ynyl)-1,3-dimethylbenzene 
• 1313030-04-4 C₆H₄P(C₆H₅)2C₈H₄B(C₆H₂(CH₃)2C₄F₉)2 
• 1313030-01-1 ((C₆H₅)2PC₆H₄CCC₆H₄B(C₆H₂(CH₃)2C₄F₉)2) 
• 1313030-03-3 C₆H₄P(C₆H₅)2C₈H₄B(C₆H₂(CH₃)2Cl)2 
• 1071986-18-9 5-chloro-2-iodo-isophthalic acid 
• 186748-50-5 2-(4-chloro-2,6-dimethylphenyl)acetic acid 

Relevant articles and documents

Conformationally constrained analogues of N-(piperidinyl)-5-(4- chlorophenyl)-1-(2,4- dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716): Design, synthesis, computational analysis, and biological evaluations

Structure-activity relationships (SARs) of 1 (SR141716) have been extensively documented, however, the conformational properties of this class have received less attention. In an attempt to better understand ligand conformations optimal for receptor recognition, we have designed and synthesized a number of derivatives of 1, including a four-carbon-bridged molecule (11), to constrain rotation of the diaryl rings. Computational analysis of 11 indicates a ～20 kcal/mol energy barrier for rotation of the two aryl rings. NMR studies have determined the energy barrier to be ～18 kcal/mol and suggested atropisomers could exist. Receptor binding and functional studies with these compounds displayed reduced affinity and potency when compared to 1. This indicates that our structural modifications either constrain the ring systems in a suboptimal orientation for receptor interaction or the introduction of steric bulk leads to disfavored steric interactions with the receptor, and/or the relatively modest alterations in the molecular electrostatic potentials results in disfavored Coulombic interactions.