3,4-Diiodotoluene

Base Information

• Chemical Name: 3,4-Diiodotoluene
• CAS No.: 1608-47-5
• Molecular Formula: C7H6 I2
• Molecular Weight: 343.934
• Hs Code.: 2903999090
• European Community (EC) Number: 661-224-8
• DSSTox Substance ID: DTXSID80399146
• Nikkaji Number: J435.715I
• Wikidata: Q82201534
• Mol file: 1608-47-5.mol

Synonyms:3,4-Diiodotoluene;1,2-diiodo-4-methylbenzene;1608-47-5;SCHEMBL3845672;DTXSID80399146;Benzene, 1,2-diiodo-4-methyl-;BAA60847;1,2-bis(iodanyl)-4-methyl-benzene;AKOS022181575;FT-0633699;A810196;1-(4-Aminophenyl)-3-pyrrolidino-2-pyrazolin-5-one

Chemical Property of 3,4-Diiodotoluene

Chemical Property:

• Vapor Pressure: 0.00663mmHg at 25°C
• Refractive Index: 1.684
• Boiling Point: 279.9°C at 760 mmHg
• Flash Point: 133.7°C
• PSA: 0.00000
• Density: 2.295g/cm³
• LogP: 3.20420
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 343.85590
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

97% ^*data from raw suppliers

3,4-Diiodotoluene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Diiodotoluene

There total 10 articles about 3,4-Diiodotoluene 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: 80.0%

2-Iodo-5-methylbenzenesulfonic acid (139778-27-1) → 4-Methyl-1,2-diiodobenzene (1608-47-5)

Guidance literature:

With 2-Iodobenzoic acid; iodine; 3-chloro-benzenecarboperoxoic acid; In acetonitrile; for 8h; Darkness; Reflux;

DOI:10.1016/j.tetlet.2010.09.034

Reference yield: 76.0%

4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (262373-15-9) → 4-Methyl-1,2-diiodobenzene (1608-47-5)

Guidance literature:

With iodine; cesium fluoride; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol300439r

Reference yield: 46.0%

toluene-4-sulfonic acid (104-15-4) → 4-tolyl iodide (624-31-7) + 4-Methyl-1,2-diiodobenzene (1608-47-5) + 1,5-diiodo-2-methylbenzene (89795-47-1)

Guidance literature:

With 2-Iodobenzoic acid; iodine; 3-chloro-benzenecarboperoxoic acid; In acetonitrile; at 50 ℃; for 8h; Darkness;

DOI:10.1016/j.tetlet.2010.09.034

upstream raw materials:

2-iodo-5-methylaniline

2-Amino-5-methylbenzoic acid

4-tolyl iodide

4-iodo-3-nitrotoluene

Downstream raw materials:

5-methyl-2-phenylisoindoline-1,3-dione

3-Methyl-1,2-bis(phenylethynyl)benzene

5-methyl-1H-isoindole-1,3-(2H)-dione