3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane
• CAS No.: 2681-00-7
• Molecular Formula: C8H8 F8 I2
• Molecular Weight: 509.948
• Hs Code.: 2903799090
• DSSTox Substance ID: DTXSID70371830
• Nikkaji Number: J2.596.584A
• Wikidata: Q82159296
• Mol file: 2681-00-7.mol

Synonyms:2681-00-7;3,3,4,4,5,5,6,6-octafluoro-1,8-diiodooctane;1,8-Diiodo-3,3,4,4,5,5,6,6-octafluorooctane;Octane,3,3,4,4,5,5,6,6-octafluoro-1,8-diiodo-;3,3,4,4,5,5,6,6-octafluoro-1,8-diiodo-octane;SCHEMBL8817076;DTXSID70371830;IGGDHHHKQANRAY-UHFFFAOYSA-N;MFCD00153129;AKOS007930422;FT-0607048;A818611

Chemical Property of 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane

Chemical Property:

• Vapor Pressure: 0.00369mmHg at 25°C
• Melting Point: 91-93°C
• Boiling Point: 290°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 0.00000
• Density: 2.107g/cm³
• LogP: 5.17780
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 509.85877
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

1,8-Diiodo-3,3,4,4,5,5,6,6-octafluorooctane 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 23-24/25

MSDS Files:

Useful:

• Canonical SMILES: C(CI)C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F

Technology Process of 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane

There total 4 articles about 3,3,4,4,5,5,6,6-Octafluoro-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: 90.0%

ethene (74-85-1) + 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (375-50-8) → 1,8-diiodo-3,3,4,4,5,5,6,6-octafluorooctane (2681-00-7)

Guidance literature:

With triiron dodecarbonyl; at 100 ℃; for 4h; under 7600 Torr;

DOI:10.1021/jo00016a041

Reference yield: 78.0%

→ 1,8-diiodo-3,3,4,4,5,5,6,6-octafluorooctane (2681-00-7)

Guidance literature:

Reference yield:

ethene (74-85-1) + 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (375-50-8) → 1,8-diiodo-3,3,4,4,5,5,6,6-octafluorooctane (2681-00-7) + C6H4F8I2 (65510-61-4)

Guidance literature:

at 60 ℃; for 24h; under 3102.97 Torr;

upstream raw materials:

ethene

1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

Downstream raw materials:

C₄₄H₃₈F₈N₂P₂

perfluoroadipic acid

3,3,4,4,5,5,6,6-octafluoro-1,8-octanediol

3,3,4,4,5,5,6,6-octafluoro-1,7-octadiene

Refernces

• 1、 Manseri, A.,Ameduri, B.,Boutevin, B.,Kotora, M.,Hajek, M.,Caporiccio, G.. "Synthesis of telechelic dienes from fluorinated α,ω-diiodoalkanes. Part I. Divinyl and diallyl derivatives from model I(C2F4)nI compounds". . p. 151 - 158. Retrieved 2007/10/02.
• 2、 Urata, Hisao,Kinoshita, Yoshihiro,Asanuma, Tatsuya,Kosukegawa, Osamu,Fuchikami, Takamasa. "A Facile Synthesis of α,ω-Dicarboxylic Acids Containing Perfluoroalkylene Groups". . p. 4996 - 4999. Retrieved 2007/10/02.