Description

4-Nitrophenylsulfur Pentafluoride (CAS No. 2613-27-6) is a highly specialized fluorinated organosulfur compound with the molecular formula C₆H₄F₅NO₂S. This chemical, also known by its IUPAC name pentafluoro-(4-nitrophenyl)-λ⁶-sulfane, is a valuable reagent in advanced synthetic chemistry and materials science. Its unique structure features a pentafluorosulfur (SF₅) group attached to a nitrophenyl ring, making it an excellent candidate for electrophilic fluorination reactions and as a building block for high-performance materials.

Our product is synthesized under strict quality control to ensure high purity (>98%) and consistency, making it ideal for research applications requiring precise reactivity. It is supplied as a crystalline solid with careful handling instructions due to its moisture sensitivity. Each batch undergoes rigorous analytical characterization including ¹H NMR, ¹⁹F NMR, and LC-MS to verify identity and purity.

Packaged in amber glass vials under inert atmosphere to ensure stability, this compound is particularly useful for:

• Development of SF₅-containing pharmaceuticals
• Advanced material synthesis
• Electrophilic fluorination reactions
• Click chemistry applications

Properties

• CAS Number: 2613-27-6
• Complexity: 274
• IUPAC Name: pentafluoro-(4-nitrophenyl)-lambda6-sulfane
• InChI: InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H
• InChI Key: AGNCKMHGYZKMLN-UHFFFAOYSA-N
• Exact Mass: 248.98829035
• Molecular Formula: C6H4F5NO2S
• Molecular Weight: 249.16
• SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(F)(F)(F)(F)F
• Topological: 46.8
• Monoisotopic Mass: 248.98829035
• Synonyms: 4-Nitrophenylsulfur Pentafluoride, DTXSID90379676, DTXCID90330702, 671-845-6, 2613-27-6, 4-nitrophenylsulphur pentafluoride, Sulfur, pentafluoro(4-nitrophenyl)-, (OC-6-21)-, MFCD00221619, pentafluoro-(4-nitrophenyl)-lambda6-sulfane, 4-Nitrobenzenesulphur pentafluoride, 4-Nitrophenylsulfurpentafluoride, 4-(pentafluorosulfur)-nitrobenzene, 1-nitro-4-(pentafluorosulfanyl)benzene, SCHEMBL816323, p-nitro(pentafluorosulfanyl)benzene, BBL102770, SBB055099, STL556576, AKOS005255114, Pentafluoro(4-nitrophenyl)-l6-sulfane, FO87550, 1-nitro-4-(pentafluoro-sulfanyl)benzene, PS-10481, SY029817, Pentafluoro(4-nitrophenyl)-lambda6-sulfane, DB-046841, pentafluoro-(4-nitrophenyl)-^{6-sulfane, CS-0313620, N0743, ST51041583, 1-nitro-4-(pentafluoro-|E?-sulfanyl)benzene, (Oc-6-21)-Pentafluoro(4-Nitrophenyl)-Sulfur, D91769, 1-nitro-4-(pentafluoro-lambda~6~-sulfanyl)benzene, 4-(Pentafluorothio)nitrobenzene, 1-Nitro-4-(pentafluorosulphanyl)benzene, InChI=1/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4

Application

4-Nitrophenylsulfur Pentafluoride serves as a versatile reagent in medicinal chemistry for introducing SF₅ groups into bioactive molecules, enhancing their metabolic stability and lipophilicity. In materials science, it’s used to synthesize high-performance polymers with exceptional thermal and chemical resistance. The compound’s strong electrophilic character makes it valuable for developing new fluorination methodologies in organic synthesis.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (57.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (28.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 3 (28.6%)
• STOT SE 3 (28.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.