1,8-Diiodooctane

Base Information

• Chemical Name: 1,8-Diiodooctane
• CAS No.: 24772-63-2
• Molecular Formula: C8H16 I2
• Molecular Weight: 366.024
• Hs Code.: 2903399090
• European Community (EC) Number: 246-456-6
• DSSTox Substance ID: DTXSID8067020
• Nikkaji Number: J191.516I
• Wikidata: Q81993598
• Mol file: 24772-63-2.mol

Synonyms:1,8-Diiodooctane;24772-63-2;Octane, 1,8-diiodo-;Octamethylene diiodide;EINECS 246-456-6;1,8-diiodo-octane;Octane,1,8-diiodo-;1,8-bis(iodanyl)octane;SCHEMBL630733;DTXSID8067020;C8H16I2;C8-H16-I2;MFCD00001106;AKOS015913572;1,8-Diiodooctane, stabilized with copper;AS-57155;1,8-Diiodooctane , stabilized with Copper;CS-0196432;D2158;FT-0607049;F19540;A817488;J-015668;1,8-Diiodooctane, 98%, contains copper as stabilizer

Chemical Property of 1,8-Diiodooctane

Chemical Property:

• Appearance/Colour: clear slightly brown liquid
• Vapor Pressure: 0.000281mmHg at 25°C
• Melting Point: 16-21 °C
• Refractive Index: n20/D 1.5653(lit.)
• Boiling Point: 332.5 °C at 760 mmHg ，167-169 °C6 mm Hg(lit.)
• Flash Point: 145.5 °C
• PSA: 0.00000
• Density: 1.846 g/cm³
• LogP: 4.19700
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive
• Solubility.: Miscible with methanol.
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 365.93415
• Heavy Atom Count: 10
• Complexity: 47.2

Purity/Quality:

97% ^*data from raw suppliers

1,8-Diiodooctane (stabilized with Copper chip) >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCI)CCCI
• Uses: 1,8-Diiodooctane is utilized to improve the power conversion efficiency of polymer solar cells. It is also employed as a processing additive to improve the morphology and the efficiency of bulk heterojunctions solar cells based on the regioregular poly(3-hexylthiophene).

Technology Process of 1,8-Diiodooctane

There total 6 articles about 1,8-Diiodooctane 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: 95.0%

1,8-dibromooctane (4549-32-0) → 1,8-diiodooctane (24772-63-2)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃; for 24h; Darkness;

DOI:10.1002/chem.202004953

Reference yield: 77.0%

1,8-Octanediol (629-41-4) → 1,8-diiodooctane (24772-63-2)

Guidance literature:

1,8-Octanediol; With triethylamine; p-toluenesulfonyl chloride; In dichloromethane; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

With sodium iodide; In acetone; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c5cc06424d

Reference yield: 10.0%

1,8-Octanediol (629-41-4) → 1,8-diiodooctane (24772-63-2) + 8-iodo-1-octanol (79918-35-7)

Guidance literature:

With 2,2,4-trimethylpentane; hydrogen iodide; for 4h; Heating;

DOI:10.1021/jo00342a039

upstream raw materials:

1,8-Octanediol

1,8-dibromooctane

1,8-diphenoxyoctane

hydrogen iodide

Downstream raw materials:

1,12-dodecanedioic acid

1,8-dimethoxyoctane

C₉₄H₇₄N₁₀⁽²⁺⁾*2I^(1-)

Bis-(N-methyl-N-cyclohexylamino)octane dimethiodide