6,6,6-Trifluorohexanoic acid

Base Information

Chemical Name:6,6,6-Trifluorohexanoic acid
CAS No.:764-64-7
Molecular Formula:C₆H₉F₃O₂
Molecular Weight:170.131
Hs Code.:
European Community (EC) Number:819-444-9
DSSTox Substance ID:DTXSID50694958
Wikidata:Q82623914

Synonyms:6,6,6-TRIFLUOROHEXANOIC ACID;764-64-7;SCHEMBL866445;DTXSID50694958;HNXWXASGHNRUNO-UHFFFAOYSA-N;6,6,6-TRIFLUOROHEXANOICACID;AKOS006276328;EN300-207675;F87578;Z1198160341

Suppliers and Price of 6,6,6-Trifluorohexanoic 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

Matrix Scientific
6,6,6-Trifluorohexanoic acid 95%
2.500g
$ 1403.00

AK Scientific
6,6,6-Trifluorohexanoicacid
5g
$ 3397.00

AK Scientific
6,6,6-Trifluorohexanoicacid
2.5g
$ 2339.00

Total 4 raw suppliers

Chemical Property of 6,6,6-Trifluorohexanoic acid

Chemical Property:

Melting Point:36-38 °C
Boiling Point:110-111.5 °C(Press: 17 Torr)
PSA：37.30000
Density:1.227±0.06 g/cm3(Predicted)
LogP:2.19370
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:170.05546401
Heavy Atom Count:11
Complexity:130

Purity/Quality:

99% ^*data from raw suppliers

6,6,6-Trifluorohexanoic acid 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 6,6,6-Trifluorohexanoic acid

There total 2 articles about 6,6,6-Trifluorohexanoic 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: 46.0%

: 124-04-9
Adipic acid

: 764-64-7
6,6,6-trifluoro-hexanoic acid

Guidance literature:: With sulfur tetrafluoride; hydrogen fluoride;
DOI:10.2533/000942904777678163

Reference yield:

: 626-86-8
adipinic acid monoethyl ester

: 764-64-7
6,6,6-trifluoro-hexanoic acid

Guidance literature:: With sulfur tetrafluoride; at 130 ℃; for 7h;
DOI:10.1021/ja01488a012

Reference yield:

: 764-64-7
6,6,6-trifluoro-hexanoic acid

: CGA 304'111

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / t-BuOK / dimethylformamide

2: SOCl₂

3: 94 percent / pyridine / toluene

With pyridine; thionyl chloride; potassium tert-butylate; In N,N-dimethyl-formamide; toluene;
DOI:10.2533/000942904777678163