1,1,2,2-Tetrahydroperfluorododecanethiol

Base Information

• Chemical Name: 1,1,2,2-Tetrahydroperfluorododecanethiol
• CAS No.: 34451-28-0
• Molecular Formula: C12H5F21S
• Molecular Weight: 580.2
• European Community (EC) Number: 640-553-0
• UNII: 8QXH0AUS19
• DSSTox Substance ID: DTXSID00880389
• Nikkaji Number: J25.741I
• Wikidata: Q27270912
• Mol file: 34451-28-0.mol

Synonyms:34451-28-0;1,1,2,2-Tetrahydroperfluorododecanethiol;2-(perfluorodecyl)ethanethiol;2-(Henicosafluorodecyl)ethane-1-thiol;2-(Henicosafluorodecyl)ethanethiol;1H,1H,2H,2H-Perfluorododecylthiol;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-thiol;8QXH0AUS19;J25.741I;1,1,2,2-Tetrahydroperfluoro-1-dodecanethiol;1-Dodecanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-;1H,1H,2H,2H-Perfluorododecane-1-thiol;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecane-1-thiol;UNII-8QXH0AUS19;SCHEMBL3430291;DTXSID00880389;WUHVTJLYXHSDMR-UHFFFAOYSA-N;1h,1h,2h,2h-perfluorododecyl-1-thiol;NS00018958;Q27270912

Chemical Property of 1,1,2,2-Tetrahydroperfluorododecanethiol

Chemical Property:

• Boiling Point: 221℃
• PKA: 9.61±0.10(Predicted)
• Flash Point: 66℃
• PSA: 38.80000
• Density: 1.631±0.06 g/cm3(Predicted)
• LogP: 7.58630
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 10
• Exact Mass: 579.9776627
• Heavy Atom Count: 34
• Complexity: 731

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,2,2-Tetrahydroperfluorododecanethiol

There total 3 articles about 1,1,2,2-Tetrahydroperfluorododecanethiol 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: 70.0%

thioacetic acid S-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-dodecyl) ester → 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanethiol (34451-28-0) + 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-dodecyldisulfanyl)-dodecane

Guidance literature:

With sodium hydroxide; In methanol; for 3h; Heating;

DOI:10.1016/S0022-1139(00)00215-3

Reference yield:

1-iodo-1H,1H,2H,2H-perfluorododecane (2043-54-1,71215-70-8) → 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanethiol (34451-28-0)

Guidance literature:

With sodium hydrogensulfide; In water; tert-butyl alcohol; at 75 ℃;

DOI:10.1021/jo00436a005

Reference yield:

→ 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanethiol (34451-28-0)

Guidance literature:

upstream raw materials:

1-iodo-1H,1H,2H,2H-perfluorododecane

Refernces