cis-1-Iodo-2-(heptafluoropropyl)cyclohexane

Base Information

• Chemical Name: cis-1-Iodo-2-(heptafluoropropyl)cyclohexane
• CAS No.: 7589-43-7
• Molecular Formula: C₉H₁₀F₇I
• Molecular Weight: 378.072
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID00379288
• Wikidata: Q82169019
• Mol file: 7589-43-7.mol

Synonyms:7589-43-7;CIS-1-IODO-2-(HEPTAFLUOROPROPYL)CYCLOHEXANE;(1R,2R)-1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane;cis-1-Iodo-2-(perfluoropropyl)cyclohexane;DTXSID00379288;AKOS015853637;AKOS015910013;CS-0455577;(1R,2R)-1-iodo-2-(perfluoropropyl)cyclohexane

Chemical Property of cis-1-Iodo-2-(heptafluoropropyl)cyclohexane

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Refractive Index: 1.4387
• Boiling Point: 50/1.3mm
• Flash Point: 93.1°C
• PSA: 0.00000
• Density: 1.804
• LogP: 4.81310
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 377.97155
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

98%Min ^*data from raw suppliers

cis-1-Iodo-2-(heptafluoropropyl)cyclohexane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C(C(C(F)(F)F)(F)F)(F)F)I
• Isomeric SMILES: C1CC[C@H]([C@H](C1)C(C(C(F)(F)F)(F)F)(F)F)I

Technology Process of cis-1-Iodo-2-(heptafluoropropyl)cyclohexane

There total 3 articles about cis-1-Iodo-2-(heptafluoropropyl)cyclohexane 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:

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane (754-34-7) + cyclohexene (110-83-8) → trans-1-Iod-2-(perfluor-propyl)-cyclohexan (2728-75-8,7589-43-7,7589-44-8) + cis-2-Iod-1-(heptafluorpropyl)-cyclohexan (2728-75-8,7589-43-7,7589-44-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile);

DOI:10.1021/jo00980a017

Reference yield:

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane (754-34-7) + cyclohexene (110-83-8) → trans-1-Iod-2-(perfluor-propyl)-cyclohexan (2728-75-8,7589-43-7,7589-44-8) + cis-2-Iod-1-(heptafluorpropyl)-cyclohexan (2728-75-8,7589-43-7,7589-44-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile);

DOI:10.1021/jo00980a017

Reference yield:

→ trans-1-Iod-2-(perfluor-propyl)-cyclohexan (2728-75-8,7589-43-7,7589-44-8)

Guidance literature:

Cyclohexen, Heptafluor-1-iod-propan, Radikal-Addition;

DOI:10.1021/ja00874a037

upstream raw materials:

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

cyclohexene

Downstream raw materials:

1-heptafluoropropyl-cyclohexene