444-29-1

Basic information

• Product Name: 2-Iodobenzotrifluoride
• Synonyms: 1-iodo-2-(trifluoromethyl)-benzen;2-Trifluoromethyliodobenzene;alpha,alpha,alpha-Trifluoro-o-iodotoluene;o-Iodo-alpha,alpha,alpha-trifluorotoluene;Toluene, alpha,alpha,alpha-trifluoro-o-iodo-;O-IODINE TRIFLUORO TOLUENE;O-IODOBENZOTRIFLUORIDE;O-(TRIFLUOROMETHYL)IODOBENZENE
• CAS NO: 444-29-1
• Molecular Formula: C₇H₄F₃I
• Molecular Weight: 272.01
• EINECS: 207-147-1
• Product Categories: Fluoro-contained Iodo series;Benzene series;Fluorine Compounds;Iodine Compounds;alkyl Iodine
• Mol File: 444-29-1.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 197-198 °C750 mm Hg(lit.)
• Flash Point: 178 °F
• Appearance: Clear light yellow/Liquid
• Density: 1.939 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.507mmHg at 25°C
• Refractive Index: n20/D 1.531(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: insoluble
• Sensitive: Light Sensitive
• BRN: 2090038
• CAS DataBase Reference: 2-Iodobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Iodobenzotrifluoride(444-29-1)
• EPA Substance Registry System: 2-Iodobenzotrifluoride(444-29-1)

Safety Data

• Hazard Codes: C,T,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-27-36/37/39-45-37/39
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• TSCA: T
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 444-29-1(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR LIGHT YELLOW LIQUID

Uses

2-Iodobenzotrifluoride acts as a reagent in the preparation, cyclooxygenase-1 inhibitory activity, and docking studies of aminoalkoxyphenylbenzamides. Prepartion and SAR of tricyclic 4,4-dimethyl-3,4-dihydrochromeno[3,4-d]imidazole derivatives as microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors.

InChI:InChI=1/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H

Upstream product

• 98-08-8 α,α,α-trifluorotoluene 
• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 591-50-4 iodobenzene 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 88284-48-4 2-(trimethylsilyl)phenyl trifluoromethanesulfonate 
• 76-05-1 trifluoroacetic acid 
• 615-43-0 2-iodophenylamine 
• 77152-08-0 trifluoromethylcopper(I) 
• 462-80-6 benzyne 
• 2314-97-8 iodotrifluoromethane 
• 344-62-7 N-[2-(trifluoromethyl)phenyl]acetamide 
• 103-84-4 Acetanilid 

Downstream Products

• 49571-31-5 2-(trifluoromethyl)phenyllithium 
• 148651-36-9 (CF₃)C₆H₄(ZnI) 
• 137912-54-0 2-trifluoromethylphenylferrocene 
• 95149-20-5 tris(2-(CF₃)phenyl)bismuthane 
• 936541-91-2 zinc 5,10,15,20-tetrakis(2-(trifluoromethyl)phenylethynyl)porphyrin 
• 50620-98-9 ethyl 2-trifluoromethylcinnamate 
• 886508-96-9 5-(2-(trifluoromethyl)phenyl)thiophene-2-carbaldehyde 
• 1192599-31-7 2-((1-methyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrrol-2-yl)methylene)hydrazinecarboximidamide hydrochloride 
• 1192599-32-8 C₁₃H₁₀F₃NO 
• 223575-93-7 3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde 
• 1408054-13-6 4-(trifluoromethyl)-6H-dibenzo[b,d]pyran 
• 1450631-10-3 C₁₅H₁₅F₆NO₂ 
• 189065-49-4 4-(3-(trifluoromethyl)phenyl)morpholine 
• 447-61-0 2-Trifluoromethylbenzaldehyde 

Relevant articles and documents

METHOD OF MANUFACTURING BIS(TRIFLUOROMEHTYL)BIPHENYL COMPOUND

A process for preparing a bis biphenyl compound according to example embodiments of the present invention is reacting a triflouromethylaniline compound with an alkali metal halide to form a halotrifluoride methylbenzene compound. The halotriflouromethylbenzene compound is subjected to coupling reaction under copper catalyst conditions. The productivity of bis biphenyl compounds can be improved.

Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex

While several trifluoromethylation reactions involving the electrochemical generation of CF3 radicals via anodic oxidation have been reported, the alternative cathodic, reductive radical generation has remained elusive. Herein, the first cathodic trifluoromethylation of arenes and heteroarenes is reported. The method is based on the electrochemical reduction of an unstable triflyltriethylammonium complex generated in situ from inexpensive triflyl chloride and triethylamine, which produces CF3 radicals that are trapped by the arenes on the cathode surface.

Aryl iodine compound containing carboxydifluoromethylene at ortho-position and preparation method thereof

The invention discloses a preparation method of an aryl iodine compound containing carboxydifluoromethylene at ortho-position. The preparation method is characterized by including: at the presence oftrimethylsilyl trifluoromethanesulfonate, allowing aryl iodine diacetate shown as a structural formula (I) and pentafluoroacetone enol silicon ether shown as a structural formula (II) to be in rearrangement reaction, and hydrolyzing under strong base to obtain the aryl iodine compound containing methylene difluoroacetate and shown as a structural formula (III), wherein R1 is selected from hydrogen, halogen, alkyl, alkoxy, carbalkoxy, halogenated alkyl, halogenated alkoxy, carbalkoxy substituted alkyl, amino substituted alkyl, carbalkoxy and amino substituted alkyl, cyano or nitro, and Ar is selected from benzene ring, naphthalene ring and thiophene ring. The preparation method has the advantages of being mild in reaction condition, high in selectivity and yield, easy-to-separate in productand simple in operation.