3-Nitrophenylsulfur Pentafluoride

Base Information

• Chemical Name: 3-Nitrophenylsulfur Pentafluoride
• CAS No.: 2613-26-5
• Molecular Formula: C6H4 F5 N O2 S
• Molecular Weight: 249.161
• Hs Code.: 29309090
• European Community (EC) Number: 447-600-2,631-081-6
• DSSTox Substance ID: DTXSID30379675
• Nikkaji Number: J1.310.270H
• Wikidata: Q72499883
• Mol file: 2613-26-5.mol

Synonyms:3-Nitrophenylsulfur Pentafluoride;2613-26-5;3-nitrophenylsulphur pentafluoride;3-NITROPHENYLSULFURPENTAFLUORIDE;pentafluoro-(3-nitrophenyl)-lambda6-sulfane;1-nitro-3-(pentafluorosulfanyl)benzene;SCHEMBL1291141;3-nitropentafluorosulfanylbenzene;3-pentafluorosulphanylnitrobenzene;DTXSID30379675;3-Nitrobenzenesulfur pentafluoride;FSTNQYCPXJMFMT-UHFFFAOYSA-N;3-(pentafluorosulfur)-nitrobenzene;3-Nitrophenylpentafluorosulfur(VI);3-(Pentafluorosulfanyl)nitrobenzene;BBL102460;MFCD00221621;STL556262;AKOS005255140;3-Nitrophenylsulfur pentafluoride, 95%;1-nitro-3-(pentafluoro--sulfanyl)benzene;PS-10480;FT-0616260;N0742;pentafluoro-(3-nitrophenyl)-$l^{6}-sulfane;T72185;A818197;1-NITRO-3-(PENTAFLUORO-??-SULFANYL)BENZENE;1-nitro-3-(pentafluoro-lambda~6~-sulfanyl)benzene;J-016270;pentakis(fluoranyl)-(3-nitrophenyl)-$l^{6}-sulfane;Sulfur,pentafluoro(3-nitrophenyl)-,(oc-6-21)-(9ci)

Chemical Property of 3-Nitrophenylsulfur Pentafluoride

Chemical Property:

• Melting Point: 0℃
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 71.12000
• Density: g/cm³
• LogP: 4.77540
• Water Solubility.: Difficult to mix in water.
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 248.98829035
• Heavy Atom Count: 15
• Complexity: 282

Purity/Quality:

99.9% ^*data from raw suppliers

3-Nitrophenylsulfur Pentafluoride >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T,Xn
• Hazard Codes: Xi,T,Xn
• Statements: 34-36/37-20/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)[N+](=O)[O-]
• Uses: It has a wide range of applications as a fluorinating agent. g. It is a convenient alternative to current fluorinating agents for use in the synthesis of specialty chemicals and intermediates, such as pharmaceuticals, agrochemicals and electronics chemicals.

Technology Process of 3-Nitrophenylsulfur Pentafluoride

There total 12 articles about 3-Nitrophenylsulfur Pentafluoride 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: 100.0%

pentafluorosulfanylbenzene (2557-81-5) → 3-nitrophenylsulfur pentafluoride (2613-26-5)

Guidance literature:

With nitronium tetrafluoborate; trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Time;

Reference yield: 82.0%

3-nitrophenyltetetrafluoro-λ6-sulfanyl chloride → 3-nitrophenylsulfur pentafluoride (2613-26-5)

Guidance literature:

With iodine pentafluoride; In neat (no solvent); at 65 ℃; for 14h; Glovebox; Inert atmosphere;

DOI:10.1039/c7cc02802d

Reference yield: 82.0%

→ 3-nitrophenylsulfur pentafluoride (2613-26-5)

Guidance literature:

With iodine pentafluoride; In neat (no solvent); at 65 ℃; for 14h; Glovebox; Inert atmosphere;

upstream raw materials:

bis(3-nitrophenyl) disulfide

pentafluorosulfanylbenzene

1,1'-disulphanediylbis(4-chloro-3-nitrobenzene)

cyclohexa-1,4-diene

Downstream raw materials:

3-pentafluorosulfuraniline

1-(n-propoxy)-3-(pentafluorosulfanyl)benzene

1-methoxy-3-(pentafluorosulfanyl)benzene

(3-(benzyloxy)phenyl)pentafluoro-λ⁶-sulfane