1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane

Base Information

• Chemical Name: 1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane
• CAS No.: 102780-88-1
• Molecular Formula: C6F13 I
• Molecular Weight: 445.95
• Hs Code.: 2903780090
• DSSTox Substance ID: DTXSID70371572
• Wikidata: Q82158939
• Mol file: 102780-88-1.mol

Synonyms:102780-88-1;Decafluoro-2-trifluoromethyl-2-iodopentane;1,1,1,2,2,3,3,5,5,5-decafluoro-4-iodo-4-(trifluoromethyl)pentane;2-Iodoperfluoro(2-methylpentane);Heptafluoro-1,1-bis(trifluoromethyl)butyl iodide;Perfluoro(2-iodo-2-methylpentane);2-Iodoperfluoro-(2-methylpentane);perfluoro-t-hexyl iodide;SCHEMBL9868059;DTXSID70371572;PCOHEQOCJXXENZ-UHFFFAOYSA-N;MFCD00082619;AKOS016015426;FS-4162;Decafluoro-4-trifluoromethyl-4-iodopentane;CS-0440191;FT-0624473;A800617;1,1,1,2,2,3,3,5,5,5-decakis(fluoranyl)-4-iodanyl-4-(trifluoromethyl)pentane;1,1,1,2,2,3,3,5,5,5-Decafluoro-2-iodo-2-(trifluoromethyl)pentane, 2-Iodoperfluoro(2-methylpentane)

Chemical Property of 1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane

Chemical Property:

• Vapor Pressure: 23.4mmHg at 25°C
• Refractive Index: 1.332
• Boiling Point: 114.6°Cat760mmHg
• Flash Point: 43.9°C
• PSA: 0.00000
• Density: 2.05g/cm³
• LogP: 5.11770
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 445.88371
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

97% ^*data from raw suppliers

Decafluoro-2-trifluoromethyl-2-iodopentane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)I

Technology Process of 1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane

There total 2 articles about 1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane 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: 69.8%

→ 2-iodo-2-trifluoromethylperfluoropentane (102780-88-1)

Guidance literature:

With Iodine monochloride; cesium fluoride; In 1,2-dimethoxyethane; at 10 ℃; for 1h;

DOI:10.1007/BF00959583

Reference yield:

perfluoro-2-methylpent-2-ene (1584-03-8) → 2-iodo-2-trifluoromethylperfluoropentane (102780-88-1)

Guidance literature:

With potassium fluoride; iodine; silver trifluoroacetate; Yield given. Multistep reaction; 1.) acetonitrile, room temperature, 1 h, 30 deg C, 30 min; 2.) room temperature, 1 h, reflux, 2.5 h;

DOI:10.1016/S0022-1139(00)82019-9

Reference yield: 98.0%

ethene (74-85-1) + 2-iodo-2-trifluoromethylperfluoropentane (102780-88-1) → 1,1,1,2,2,3,3-Heptafluoro-6-iodo-4,4-bis-trifluoromethyl-hexane (115347-68-7)

Guidance literature:

at 140 ℃; for 2h; under 11250.9 Torr; Product distribution; various CC-unsaturated compounds investigated;

DOI:10.1016/S0022-1139(00)82019-9

upstream raw materials:

perfluoro-2-methylpent-2-ene

Downstream raw materials:

1,1,1,2,2,3,3,5,5,5-decafluoro-4-trifluoromethyl-pentane

1,1-bis-(2,2,2-trifluoroethoxy)-2-iodoethane

1,1,1,2,2,3,3-Heptafluoro-6-iodo-4,4-bis-trifluoromethyl-hexane

C₆F₁₃