2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol
• CAS No.: 355-74-8
• Molecular Formula: C6H6F8O2
• Molecular Weight: 262.1
• Hs Code.: 29055900
• European Community (EC) Number: 670-345-5
• DSSTox Substance ID: DTXSID60188999
• Nikkaji Number: J740.987G
• Wikidata: Q81985520
• Mol file: 355-74-8.mol

Synonyms:355-74-8;2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol;2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol;1,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane;1h,1h,6h,6h-perfluoro-1,6-hexanediol;1,6-Hexanediol, 2,2,3,3,4,4,5,5-octafluoro-;SCHEMBL37804;C6H6F8O2;NHEKBXPLFJSSBZ-UHFFFAOYSA-;DTXSID60188999;CCG-2158;MFCD00069087;AKOS015853186;1H,1H,6H,6H-Perfluorohexane-1,6-diol;BP-21497;BS-22777;CS-0211585;FT-0609067;O0294;D91856;(1E)-1-[(E)-3-phenylprop-2-enylidene]indene;2,2,3,3,4,4,5,5-octafluorohexan-1,6-diol;A822878;2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol, 98%;1,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane, 98%;2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol, >/=98%

Chemical Property of 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol

Chemical Property:

• Appearance/Colour: white to off-white crystalline solid
• Vapor Pressure: 0.00155mmHg at 25°C
• Melting Point: 66-70 °C(lit.)
• Refractive Index: 1.331
• Boiling Point: 262.4 °C at 760 mmHg 100 °C3 mm Hg(lit.)
• PKA: 12.62±0.10(Predicted)
• Flash Point: 112.5 °C
• PSA: 40.46000
• Density: 1.575 g/cm³
• LogP: 1.51220
• Water Solubility.: Soluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 262.02400473
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 22-24/25-37-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)O
• Uses: 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol is used as a pharmaceutical intermediate.

Technology Process of 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol

There total 7 articles about 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol 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: 84.6%

octafluoroadipoyl chloride (336-06-1) → 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol (355-74-8)

Guidance literature:

octafluoroadipoyl chloride; With ethanol; at 20 ℃; for 1.5h;

With sodium tetrahydroborate; ethanol; water; sodium hydroxide; at 15 - 30 ℃; for 0.5h; pH=Ca. 8.5;

Reference yield:

diethyl perfluoroadipate (376-50-1) → 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol (355-74-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01122a049

Reference yield:

dimethyl Octafluoroadipate (3107-98-0) → 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol (355-74-8)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; benzene; Ambient temperature;

DOI:10.1021/jo00870a042

upstream raw materials:

diethyl perfluoroadipate

dimethyl Octafluoroadipate

perfluoroadipic acid

1H,2H-decafluorocyclohexane

Downstream raw materials:

C₂₀H₁₂F₈N₂O₁₀

(2,2,3,3,4,4,5,5-octafluoro-1,6-hexadiyl)di(acrylate)

2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine

C₂₂H₁₆F₈N₆

Refernces