Description

4-Hydroxyphenylsulfur pentafluoride (CAS No. 774-94-7) is a high-purity fluorinated phenolic compound with the molecular formula C₆H₅F₅OS. This specialized chemical, also known by its IUPAC name 4-(pentafluoro-λ⁶-sulfanyl)phenol, features a pentafluorothio (-SF₅) group attached to a phenolic ring, offering unique electronic and steric properties. It is supplied as a crystalline solid with ≥98% purity (HPLC), ideal for advanced synthetic applications. The compound’s strong electron-withdrawing characteristics make it valuable in pharmaceutical intermediates, agrochemical research, and materials science. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability. Suitable for use under GHS and REACH compliance.

Properties

• CAS Number: 774-94-7
• Complexity: 200
• IUPAC Name: 4-(pentafluoro-lambda6-sulfanyl)phenol
• InChI: InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4,12H
• InChI Key: XHJLGVIUMCBMHL-UHFFFAOYSA-N
• Exact Mass: 219.99812676
• Molecular Formula: C6H5F5OS
• Molecular Weight: 220.16
• SMILES: C1=CC(=CC=C1O)S(F)(F)(F)(F)F
• Topological: 21.2
• Monoisotopic Mass: 219.99812676
• Synonyms: 4-Hydroxyphenylsulfur pentafluoride, 689-990-9, 774-94-7, 4-(Pentafluorothio)phenol, 4-(PENTAFLUOROSULFANYL)PHENOL, 4-Hydroxyphenylsulphur pentafluoride, Sulfur,pentafluoro(4-hydroxyphenyl)-, (OC-6-21)- (9CI), 4-(pentafluoro-lambda6-sulfanyl)phenol, 4-(Pentafluoro-lambda~6~-sulfanyl)phenol, 4-(Pentafluorosulfur)phenol, MFCD03788516, 4-(pentafluoro-^{6}-sulfanyl)phenol, 4-Pentafluorosulfanylphenol, SCHEMBL50457, SCHEMBL517877, 4-(pentafluoro–sulfanyl)phenol, DTXSID70381318, XHJLGVIUMCBMHL-UHFFFAOYSA-N, p-hydroxyphenyl sulfur pentafluoride, p-hydroxyphenyl-sulfur pentafluoride, BBL100801, SBB095920, STL554595, 4-(pentafluoro-lambda-sulfanyl)phenol, AKOS005255132, FO88944, PS-11514, CS-0207215, E87606, 4-[pentakis(fluoranyl)-^{6}-sulfanyl]phenol, A839114, Sulfur,pentafluoro(4-hydroxyphenyl)-,(oc-6-21)-(9ci), 4-(Pentafluorothio)phenol, 4-(Pentafluorosulphanyl)phenol

Application

4-Hydroxyphenylsulfur pentafluoride serves as a key building block in medicinal chemistry for designing bioactive molecules with enhanced metabolic stability. Its SF₅ group is increasingly used in crop protection agents due to improved lipophilicity. In materials science, it acts as a precursor for high-performance polymers with exceptional thermal resistance. Researchers also employ it as a probe in ¹⁹F NMR spectroscopy studies.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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