161320-00-9

Basic information

• Product Name: 4-Iodo-3-(trifluoromethyl)benzonitrile
• Synonyms: 4-Iodo-3-(trifluoromethyl)benzonitrile;4-Cyano-2-(trifluoromethyl)iodobenzene;REF DUPL: 2-iodo-5-cyanobenzotrifluoride;5-Cyano-2-iodobenzotrifluoride, 4-Iodo-alpha,alpha,alpha-trifluoro-m-tolunitrile;4-Iodo-3-(trifluoroMethyl)benzonitrile;4-Iodo-3-(trifluoromethyl)benzonitrile 96%;4-Iodo-3-(trifluoromethyl)
• CAS NO: 161320-00-9
• Molecular Formula: C8H3F3IN
• Molecular Weight: 297.0157996
• Mol File: 161320-00-9.mol
• Article Data: 15

Chemical Properties

• Melting Point: 92-99 °C
• Boiling Point: 271℃
• Flash Point: 118℃
• Appearance: /
• Density: 1.95
• Vapor Pressure: 0.00667mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 4-Iodo-3-(trifluoromethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Iodo-3-(trifluoromethyl)benzonitrile(161320-00-9)
• EPA Substance Registry System: 4-Iodo-3-(trifluoromethyl)benzonitrile(161320-00-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 161320-00-9(Hazardous Substances Data)

Usage

General Description

4-Iodo-3-(trifluoromethyl)benzonitrile is a specialized chemical compound with the molecular formula C8H3F3IN. It features a benzene ring substituted with an iodo group, a trifluoromethyl group, and a nitrile group. This substance is known for its unique combination of functional groups which can make it a useful starting compound for more complex structures in chemical synthesis. In addition to its use in chemical and pharmaceutical research, it's also used as an intermediate in organic synthesis. With its specific physical and chemical properties, like its high molecular weight and stable aromatic ring structure, it is crucial for advanced chemical research and development. Careful handling is advised, including instructions for safety and disposal.

InChI:InChI=1/C8H3F3IN/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3H

Upstream product

• 327-74-2 4-cyano-2-trifluoromethylaniline 
• 14353-88-9 iodopentafluorobenzene bis(trifluoroacetate) 
• 3058-39-7 4-iodobenzonitrile 
• 76-05-1 trifluoroacetic acid 
• 88-17-5 2-(trifluoromethyl)benzenamine 
• 445-02-3 4-bromo-2-trifluoromethyl-aniline 

Downstream Products

• 89803-71-4 2,2′-bis-trifluoromethyl-biphenyl-4,4′-dicarboxylic acid 

Relevant articles and documents

Dynamic Coordination Chemistry of Fluorinated Zr-MOFs: Synthetic Control and Reassembly/Disassembly Beyond de Novo Synthesis to Tune the Structure and Property

Known for excellent stability, porosity and functionality, the high-valent Zr4+ metal–organic frameworks (Zr-MOFs) still meets synthetic challenge in modulating the strength of Zr-Ocarboxylate linkage. Herein we explore the unusual coordination dynamics of fluorinated Zr-MOFs by designing two trifluoromethyl modified ligands with distinct geometry preference to form a family of thermodynamic and kinetic products. The low-connecting kinetic Zr-MOFs possess substitutable coordination sites to endow Zr6-cluster with extra dynamic behaviors, thus opening a post-synthetic pathway to sequential reassembly/disassembly processes. Comprehensive factors, including ligand geometry, Zr6-cluster connectivity, acid modulator and reaction temperature/concentration, have been studied for controllable syntheses. The stability, hydrophobicity and gas adsorption/separation properties of obtained Zr-MOFs are explored. This work sheds light on the understanding of the dynamic coordination chemistry of Zr-MOFs beyond strong Zr?O bond, which poses a versatile platform for modification and functionalization of Zr-MOFs.

Precise Modulation of the Breathing Behavior and Pore Surface in Zr-MOFs by Reversible Post-Synthetic Variable-Spacer Installation to Fine-Tune the Expansion Magnitude and Sorption Properties

To combine flexibility and modifiability towards a more controllable complexity of MOFs, a post-synthetic variable-spacer installation (PVSI) strategy is used to implement kinetic installation/ uninstallation of secondary ligands into/from a robust yet flexible proto-Zr-MOF. This PVSI process features precise positioning of spacers with different length, size, number, and functionality, enabling accurate fixation of successive breathing stages and fine-tuning of pore surface. It shows unprecedented synthetic tailorability to create complicated MOFs in a predictable way for property modification, for example, CO2and R22 adsorption/separation, thermal/chemical stability, and extended breathing behavior.

Highly Chemically Stable MOFs with Trifluoromethyl Groups: Effect of Position of Trifluoromethyl Groups on Chemical Stability

Metal-organic frameworks (MOFs) are a class of advanced porous crystalline materials. However, numerous MOFs have poor chemical stability, significantly restricting their industrial application. The introduction of trifluoromethyl groups around clusters o

Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores

Through dynamic spacer installation, five fluorescent metal-organic frameworks (MOFs) have been constructed based on a proto-MOF LIFM-28 and multivariate ligands as fluorophores. The emissions are tunable via insertion of fluorescent ligands, demonstrating a versatile approach for luminescence tuning by virtue of dynamic spacer installation using swing-role MOFs.