2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol
• CAS No.: 812-87-3
• Molecular Formula: C7H4F12O2
• Molecular Weight: 348.09
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID50379819
• Wikidata: Q82169801
• Mol file: 812-87-3.mol

Synonyms:812-87-3;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptane-1,1-diol;7H-PERFLUOROHEPTANAL HYDRATE;SCHEMBL8062613;DTXSID50379819;CTPJWMXVKNDLCK-UHFFFAOYSA-N;MFCD00155770;AKOS002662633;FS-4481;A840085;2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptane-1,1-diol

Chemical Property of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol

Chemical Property:

• Vapor Pressure: 0.0657mmHg at 25°C
• Melting Point: 70-71°C
• Refractive Index: 1.307
• Boiling Point: 203.8 °C at 760 mmHg
• Flash Point: 77.1 °C
• PSA: 40.46000
• Density: 1.694 g/cm³
• LogP: 2.73870
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 348.0019673
• Heavy Atom Count: 21
• Complexity: 376

Purity/Quality:

98%min ^*data from raw suppliers

7H-Perfluoroheptanal hydrate (diol) 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O)O

Technology Process of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol

There total 2 articles about 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol 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: 93.0%

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol (335-99-9) → 1,7-Dihydrododecafluoroheptane-1,1-diol (812-87-3)

Guidance literature:

With oxygen; vanadia; silica gel; at 350 ℃;

Reference yield:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid (1546-95-8) → 1,7-Dihydrododecafluoroheptane-1,1-diol (812-87-3)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/j150622a020

Reference yield:

1,7-Dihydrododecafluoroheptane-1,1-diol (812-87-3) → 1H,7H-tetradecafluoro-heptane (19493-30-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄, P₂O₅ / 150 °C

2: SF₄ / 48 h / 150 °C

With sulfuric acid; sulfur tetrafluoride; phosphorus pentoxide;

DOI:10.1021/j150622a020

upstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid

Downstream raw materials:

1H,7H-tetradecafluoro-heptane

Refernces

• 1、 Matsuo, Keizo,Stockmayer, Walter H.. "Conformational energies of perfluoroalkanes. 5. Dipole moments of H(CF2)nH and H(CF2)nI". . p. 3307 - 3311. Retrieved 2007/10/02.