5,5,6,6,6-Pentafluorohexanoic acid

Base Information

Chemical Name:5,5,6,6,6-Pentafluorohexanoic acid
CAS No.:148043-70-3
Molecular Formula:C₆H₇F₅O₂
Molecular Weight:206.112
Hs Code.:2915900090
DSSTox Substance ID:DTXSID50475885
Wikidata:Q82306704
Mol file:148043-70-3.mol

Synonyms:5,5,6,6,6-PENTAFLUOROHEXANOIC ACID;148043-70-3;5,5,6,6,6-PENTAFLUOROHEXANE ACID;Hexanoic acid, 5,5,6,6,6-pentafluoro-;SCHEMBL865736;DTXSID50475885;MFCD04972954;AKOS016015618;EN300-25989854

Suppliers and Price of 5,5,6,6,6-Pentafluorohexanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
5,5,6,6,6-Pentafluorohexanoic acid
25 g
$ 584.00

American Custom Chemicals Corporation
5,5,6,6,6-PENTAFLUOROHEXANE ACID 98.00%
5G
$ 1582.35

Total 5 raw suppliers

Chemical Property of 5,5,6,6,6-Pentafluorohexanoic acid

Chemical Property:

Vapor Pressure:0.413mmHg at 25°C
Refractive Index:1.349
Boiling Point:180.6°C at 760 mmHg
PKA:4.56±0.10(Predicted)
Flash Point:63.1°C
PSA：37.30000
Density:1.378g/cm³
LogP:2.43890
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:206.03662027
Heavy Atom Count:13
Complexity:186

Purity/Quality:

99%, ^*data from raw suppliers

5,5,6,6,6-Pentafluorohexanoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CC(=O)O)CC(C(F)(F)F)(F)F

Technology Process of 5,5,6,6,6-Pentafluorohexanoic acid

There total 3 articles about 5,5,6,6,6-Pentafluorohexanoic acid 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: 91.0%

: 148043-69-0
methyl 5,5,6,6,6-pentafluorohexanoate

: 148043-70-3
5,5,6,6,6-pentafluorohexanoic acid

Guidance literature:: With sodium hydroxide; for 1h; Heating;

Reference yield: 85.0%

: 476415-36-8
5,5,6,6,6-pentafluorohexanecarbonitrile

: 148043-70-3
5,5,6,6,6-pentafluorohexanoic acid

Guidance literature:: With sulfuric acid; In water;

Reference yield:

: 148043-68-9
methyl 5,5,6,6,6-pentafluoro-3-iodohexanoate

: 148043-70-3
5,5,6,6,6-pentafluorohexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / azoisobutyronitrile (AIBN), Bu₃SnH / 55 - 65 °C

2: 91 percent / aq. NaOH / 1 h / Heating

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride;