Deuteropentafluorobenzene

Base Information Edit

Chemical Name:Deuteropentafluorobenzene
CAS No.:1423-07-0
Molecular Formula:C₆HF₅
Molecular Weight:169.058
Hs Code.:
DSSTox Substance ID:DTXSID101305888
Nikkaji Number:J1.853.706K
Mol file:1423-07-0.mol

Synonyms:deuteropentafluorobenzene;SCHEMBL15081078;DTXSID101305888;2,3,4,5,6-Pentafluorobenzene-d;1423-07-0

Suppliers and Price of Deuteropentafluorobenzene

Supply Marketing:Edit

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

Total 0 raw suppliers

Chemical Property of Deuteropentafluorobenzene Edit

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:169.00611759
Heavy Atom Count:11
Complexity:125

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1F)F)F)F)F
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Deuteropentafluorobenzene

There total 39 articles about Deuteropentafluorobenzene 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: 99.0%

: 1582-24-7
pentafluorophenylboronic acid

: 7789-20-0
water-d2

: 1423-07-0
1-deutero-2,3,4,5,6-pentafluorobenzene

Guidance literature:: With pyridine; In pyridine; water-d2; B-compd. was added to py-D2O mixt. at 0 °C, heating in an NMR tube within 1-2 min, 25 °C, 3-5 min; monitored by (19)F NMR; Kinetics;
DOI:10.1002/1521-3749(200213)628:13<2834::AID-ZAAC2834>3.0.CO;2-2

Reference yield: 87.0%

: 363-72-4
Pentafluorobenzene

: 71257-77-7
(prop-1-yn-1-yl-d₃)benzene

: 1423-07-0
1-deutero-2,3,4,5,6-pentafluorobenzene

: C₁₅H₅⁽²⁾H₄F₅

Guidance literature:: With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; cesium pivalate; In toluene; at 120 ℃; for 18h; regioselective reaction; Schlenk technique; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.8b00393