Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester

Base Information

Chemical Name:Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester
CAS No.:820220-78-8
Molecular Formula:C12H8FNO6S
Molecular Weight:313.263
Hs Code.:
DSSTox Substance ID:DTXSID30461408
Nikkaji Number:J2.138.724J

Synonyms:820220-78-8;Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester;DTXSID30461408

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

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Chemical Property of Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:313.00563631
Heavy Atom Count:21
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OS(=O)(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])F

Technology Process of Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester

There total 2 articles about Sulfuric acid, 3-fluoro-4-nitrophenyl phenyl ester 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: 22.0%

: 16475-29-9
phenylchlorosulfate

: 394-41-2
3-fluoro-4-nitrophenol

: 820220-78-8
3-fluoro-4-nitrophenyl phenyl sulfate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 24h;
DOI:10.1021/jo0488309

Reference yield:

: 100-67-4
potassium phenolate

: 820220-78-8
3-fluoro-4-nitrophenyl phenyl sulfate

Guidance literature:: Multi-step reaction with 2 steps

1: 17 percent / SO₂Cl₂ / benzene / 0 - 20 °C

2: 22 percent / DBU / tetrahydrofuran / 24 h / 20 °C

With sulfuryl dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; benzene;
DOI:10.1021/jo0488309

Reference yield:

: 820220-78-8
3-fluoro-4-nitrophenyl phenyl sulfate

: phenyl sulfate sodium salt

: sodium; 3-fluoro-4-nitro-phenolate

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; water; at 40 ℃; Further Variations:; reagent concentrations; Kinetics;
DOI:10.1021/jo0488309