1,3-Diiodobenzene

Base Information

• Chemical Name: 1,3-Diiodobenzene
• CAS No.: 626-00-6
• Molecular Formula: C6H4I2
• Molecular Weight: 329.907
• Hs Code.: 29039990
• European Community (EC) Number: 210-921-1
• UNII: EYA3RT2SVY
• DSSTox Substance ID: DTXSID9060811
• Nikkaji Number: J6.861F
• Wikidata: Q72467123
• Mol file: 626-00-6.mol

Synonyms:1,3-DIIODOBENZENE;626-00-6;Benzene, 1,3-diiodo-;m-Diiodobenzene;Benzene, m-diiodo-;EINECS 210-921-1;MFCD00041731;1,3-Di Iodo benzene;EYA3RT2SVY;1,3-Diiodobenzene, 98%;SCHEMBL170090;DTXSID9060811;AKOS009158315;CS-W005100;AC-26087;DS-16919;SY029580;AM20040891;D0607;FT-0606670;A20860;EN300-224968;J-650311;W-104985;1,3-diiodo-benzen;benzene,1,3-diiodo-;Benzene,m-diiodo-

Chemical Property of 1,3-Diiodobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00474mmHg at 25°C
• Melting Point: 34-37 °C(lit.)
• Refractive Index: 1.707
• Boiling Point: 285.7 °C at 760 mmHg
• Flash Point: 145.2 °C
• PSA: 0.00000
• Density: 2.469g/cm³
• LogP: 2.89580
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: Chloroform, Methanol (Slightly, Heated)
• Water Solubility.: Insoluble in water. Soluble in hot methanol.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 329.84025
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

98% ^*data from raw suppliers

1,3-Diiodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)I
• Uses: suzuki reaction 1,3-Diiodobenzene may be used in the synthesis of:3,5-bis(perfluorodecyl)phenylboronic acidepitaxially aligned and separated polyphenylene lines on Cu(110)1,3-bis(4-ethynyl-2,5-dibutoxyphenyl-1-ethynyl)benzene

Technology Process of 1,3-Diiodobenzene

There total 29 articles about 1,3-Diiodobenzene 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: 86.0%

1,3,5-Triiodobenzene (626-44-8) + allyl bromide (106-95-6) → 1,3-Diiodobenzene (626-00-6) + 1-allyl-3,5-diiodobenzene (528577-29-9)

Guidance literature:

1,3,5-Triiodobenzene; With n-butyllithium; In hexane; toluene; at 20 ℃; for 72h;

allyl bromide; In hexane; toluene; for 24h;

DOI:10.1055/s-2003-36263

Reference yield: 68.0%

1,2,3-triiodobenzene (608-29-7) → 1,3-Diiodobenzene (626-00-6)

Guidance literature:

1,2,3-triiodobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -78 ℃; for 2h;

With ethanol; In tetrahydrofuran; at -78 - 20 ℃; for 24h; regioselective reaction;

DOI:10.1071/CH14386

Reference yield: 62.0%

1,3-dibromobenzene (108-36-1) → 1,3-Diiodobenzene (626-00-6)

Guidance literature:

With iodine; sodium iodide; In acetonitrile; at 20 ℃; for 36h; Inert atmosphere; UV-irradiation; Green chemistry;

DOI:10.1021/jacs.5b03220

upstream raw materials:

2,4-diiodoaniline

1,3-dihydrazino-benzene

m-bis(trimethylsilyl)benzene

iodobenzene

Downstream raw materials:

1-diacetoxyiodanyl-3-iodo-benzene

(3-iodophenyl)boronic acid

biphenyl-d10

1,3-di(phenyl-d5)benzene

Refernces

• 1、 Li, Lu,Liu, Wenbo,Zeng, Huiying,Mu, Xiaoyue,Cosa, Gonzalo,Mi, Zetian,Li, Chao-Jun. "Photo-induced Metal-Catalyst-Free Aromatic Finkelstein Reaction". supporting information. p. 8328 - 8331. Retrieved 2015/07/15.
• 2、 Fehler, Stefanie K.,Pratsch, Gerald,Huber, Walter,Gast, Alain,Hochstrasser, Remo,Hennig, Michael,Heinrich, Markus R.. "Synthesis and biological evaluation of 3-aryltyramines as fragments binding to BACE-1 and BACE-2". supporting information; experimental part. p. 2189 - 2194. Retrieved 2012/05/20.