4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid

Base Information

Chemical Name:4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid
CAS No.:27854-30-4
Molecular Formula:C9H5 F13 O2
Molecular Weight:392.117
Hs Code.:2915900090
European Community (EC) Number:626-437-2
DSSTox Substance ID:DTXSID70379917
Nikkaji Number:J1.749.615H
Wikidata:Q81977549
Mol file:27854-30-4.mol

Synonyms:27854-30-4;2H,2H,3H,3H-Perfluorononanoic acid;4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid;6:3 Fluorotelomer carboxylic acid;SCHEMBL1519575;3-(Perfluorohexyl)propanoic acid;3-(perfluorohexyl)propionic acid;DTXSID70379917;AAEJJSZYNKXKSW-UHFFFAOYSA-N;MFCD00077579;AKOS005255007;FT-0612473;A819216;4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonanoic acid;4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid, >=96.0% (GC)

Suppliers and Price of 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic 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
2H,2H,3H,3H-Perfluorononanoic acid 97%
1 g
$ 40.00

SynQuest Laboratories
2H,2H,3H,3H-Perfluorononanoic acid 97%
250 mg
$ 20.00

SynQuest Laboratories
2H,2H,3H,3H-Perfluorononanoic acid 97%
5 g
$ 125.00

Sigma-Aldrich
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid ≥96.0% (GC)
5g-f
$ 336.00

Sigma-Aldrich
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid ≥96.0% (GC)
1 g
$ 108.00

Sigma-Aldrich
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid ≥96.0% (GC)
1g-f
$ 102.00

Sigma-Aldrich
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid ≥96.0% (GC)
5 g
$ 224.00

Apolloscientific
2H,2H,3H,3H-Perfluorononanoicacid 97%
5g
$ 201.00

Apolloscientific
2H,2H,3H,3H-Perfluorononanoicacid 97%
1g
$ 98.00

Apolloscientific
2H,2H,3H,3H-Perfluorononanoicacid 97%
250mg
$ 80.00

Total 19 raw suppliers

Chemical Property of 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid

Chemical Property:

Vapor Pressure:0.0603mmHg at 25°C
Melting Point:62 °C
Refractive Index:1.313
Boiling Point:117 °C
PKA:4.21±0.10(Predicted)
Flash Point:83.5°C
PSA：37.30000
Density:1.614g/cm³
LogP:4.59000
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:392.0081955
Heavy Atom Count:24
Complexity:478

Purity/Quality:

99%, ^*data from raw suppliers

2H,2H,3H,3H-Perfluorononanoic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C,Xi
Statements: 34
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid

There total 7 articles about 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic 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: 81.0%

: 64-18-6
formic acid

: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

: 27854-30-4
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

Guidance literature:: With acetic anhydride; C₂₇H₂₅O₃P; lithium chloride; palladium dichloride; In 1,4-dioxane; at 70 ℃; for 24h; regioselective reaction; Sealed tube;
DOI:10.1021/acs.orglett.1c04231

Reference yield: 54.0%

: 2043-57-4,71215-70-8
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 124-38-9,18923-20-1
carbon dioxide

: 27854-30-4
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-2-methyl-octanoic acid

Guidance literature:: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; With magnesium; In diethyl ether; for 4h; Inert atmosphere;

carbon dioxide; In diethyl ether; at 0 ℃; Inert atmosphere;

With sulfuric acid; In diethyl ether; Inert atmosphere;
DOI:10.1016/j.jfluchem.2010.02.004