Methyl 4-(heptadecafluorooctyl)benzoate

Base Information

Chemical Name:Methyl 4-(heptadecafluorooctyl)benzoate
CAS No.:80791-12-4
Molecular Formula:C16H7F17O2
Molecular Weight:554.19800
Hs Code.:
DSSTox Substance ID:DTXSID60512038
Wikidata:Q82371116
Mol file:80791-12-4.mol

Synonyms:80791-12-4;METHYL 4-(HEPTADECAFLUOROOCTYL)BENZOATE;Benzoic acid, 4-(heptadecafluorooctyl)-, methyl ester;METHYL 4-(PERFLUOROOCTYL)BENZOATE;DTXSID60512038;methyl 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzoate;NS00110886

Suppliers and Price of Methyl 4-(heptadecafluorooctyl)benzoate

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

American Custom Chemicals Corporation
METHYL 4-(PERFLUOROOCTYL)BENZOATE 95.00%
5MG
$ 503.65

Total 12 raw suppliers

Chemical Property of Methyl 4-(heptadecafluorooctyl)benzoate

Chemical Property:

Boiling Point:296.4±40.0 °C(Predicted)
PSA：26.30000
Density:1.570±0.06 g/cm3(Predicted)
LogP:6.93910
XLogP3:7.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:9
Exact Mass:554.0174582
Heavy Atom Count:35
Complexity:777

Purity/Quality:

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

METHYL 4-(PERFLUOROOCTYL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of Methyl 4-(heptadecafluorooctyl)benzoate

There total 1 articles about Methyl 4-(heptadecafluorooctyl)benzoate 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: 80.0%

: 507-63-1
1-iodoheptadecafluorooctane

: 619-44-3
methyl 4-iodobenzoate

: 80791-12-4
methyl 4-perfluorooctylbenzoate

Guidance literature:: With iodine; copper; In N,N-dimethyl-formamide; at 130 ℃; for 15h;
DOI:10.1016/S0040-4020(97)00272-X

Reference yield: 95.0%

: 80791-12-4
methyl 4-perfluorooctylbenzoate

: 163114-33-8
(4-Heptadecafluorooctyl-phenyl)-methanol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;
DOI:10.1016/S0040-4020(97)00272-X

Reference yield:

: 80791-12-4
methyl 4-perfluorooctylbenzoate

: 134641-35-3
4-heptadecafluorooctylbenzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / LiAlH₄ / diethyl ether / 2 h / Ambient temperature

2: 85 percent / MnO₂ / CHCl₃ / 8 h / Heating

With manganese(IV) oxide; lithium aluminium tetrahydride; In diethyl ether; chloroform;
DOI:10.1016/S0040-4020(97)00272-X