4-Fluoro-2-iodotoluene

Base Information

• Chemical Name: 4-Fluoro-2-iodotoluene
• CAS No.: 13194-67-7
• Molecular Formula: C7H6FI
• Molecular Weight: 236.028
• Hs Code.: 29039990
• European Community (EC) Number: 236-153-7
• DSSTox Substance ID: DTXSID40157269
• Nikkaji Number: J213.739I
• Wikidata: Q72473758
• Mol file: 13194-67-7.mol

Synonyms:4-Fluoro-2-iodotoluene;13194-67-7;4-fluoro-2-iodo-1-methylbenzene;Benzene, 4-fluoro-2-iodo-1-methyl-;2-iodo-4-fluorotoluene;4-fluoro-2-iodo-1-methyl-benzene;EINECS 236-153-7;Anorethidrane;benzene, 4-fluoro-2-iodo-1-methyl;SCHEMBL441155;4-Fluoro-2-iodotoluene, 97%;DTXSID40157269;MFCD00013709;AKOS009159264;AC-9828;AM61326;AS-9196;CS-W010321;BP-10063;F0613;FT-0618453;FT-0631479;D70127;EN300-646038;W-108322

Chemical Property of 4-Fluoro-2-iodotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liqui
• Vapor Pressure: 0.364mmHg at 25°C
• Refractive Index: n20/D 1.5800(lit.)
• Boiling Point: 205.1°Cat760mmHg
• Flash Point: 81°C
• PSA: 0.00000
• Density: 1.788g/cm³
• LogP: 2.73870
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 235.94983
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-2-iodotoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Statements: 25-52/53-36/37/38
• Safety Statements: 45-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)F)I

Technology Process of 4-Fluoro-2-iodotoluene

There total 4 articles about 4-Fluoro-2-iodotoluene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

diasonium chloride + 3-fluoro-6-methylaniline (367-29-3) → 4-fluoro-2-iodotoluene (13194-67-7)

Guidance literature:

With hydrogenchloride; potassium iodide; sulfuric acid; sodium nitrite; In water;

Reference yield:

2-nitro-4-fluorotoluene (446-10-6) → 4-fluoro-2-iodotoluene (13194-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄*H₂O, FeCl₃ / ethanol / Heating

2: (i) NaNO₂, aq. HCl, (ii) aq. KI, H₂SO₄

With iron(III) chloride; hydrazine hydrate; In ethanol;

DOI:10.1135/cccc19792108

Reference yield:

3-fluoro-6-methylaniline (367-29-3) → 4-fluoro-2-iodotoluene (13194-67-7)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) aq. KI, H₂SO₄;

DOI:10.1135/cccc19792108

upstream raw materials:

3-fluoro-6-methylaniline

2-nitro-4-fluorotoluene

Downstream raw materials:

C₁₈H₂₀FNO

4-fluoro-2-iodo-1-(methoxymethyl)benzene

((5-fluoro-2-(methoxymethyl)phenyl)ethynyl)trimethylsilane

Refernces

• 1、 Protiva,Sindelar,Sedivy,Metysova. "Potantial metabolites of tricyclic neuroleptics and their fluorinated analogues; 3-hydroxy-, 3-methoxy- and 3-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]thiepin". . p. 2108 - 2123. Retrieved 2007/10/05.