Description

4-Aminophenylsulphur pentafluoride (CAS No. 2993-24-0) is a highly specialized organosulfur compound with the molecular formula C₆H₆F₅NS. This chemical, also known as 4-(pentafluoro-λ⁶-sulfanyl)aniline, features a pentafluorosulfur (SF₅) group attached to an aniline moiety, making it a valuable building block in advanced synthetic chemistry. Its unique structure offers exceptional stability and reactivity, particularly in nucleophilic aromatic substitution reactions and as a precursor for pharmaceuticals, agrochemicals, and materials science applications. The compound is supplied as a high-purity solid (typically >95% by HPLC) and should be stored under inert conditions to prevent degradation. Ideal for researchers exploring fluorinated aromatic systems, 4-Aminophenylsulphur pentafluoride is a must-have for labs focusing on medicinal chemistry, catalysis, and the development of novel fluorinated materials.

Properties

• CAS Number: 2993-24-0
• Complexity: 200
• IUPAC Name: 4-(pentafluoro-lambda6-sulfanyl)aniline
• InChI: InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2
• InChI Key: MZGZUHNSMNNSRJ-UHFFFAOYSA-N
• Exact Mass: 219.01411118
• Molecular Formula: C6H6F5NS
• Molecular Weight: 219.18
• SMILES: C1=CC(=CC=C1N)S(F)(F)(F)(F)F
• Topological: 27
• Monoisotopic Mass: 219.01411118
• Synonyms: 4-Aminophenylsulphur pentafluoride, 640-340-2, 4-Aminophenylsulfur Pentafluoride, 2993-24-0, 4-(Pentafluorothio)aniline, 4-(Pentafluorosulfanyl)aniline, 4-aminophenylsulfurpentafluoride, 4-(pentafluoro-lambda6-sulfanyl)aniline, MFCD01076203, 4-Aminobenzenesulfur pentafluoride, 4-(pentafluoro-lambda~6~-sulfanyl)aniline, C6H6F5NS, 1-AMINO-4-(PENTAFLUORO-SULFANYL)BENZENE, 4-pentafluorosulfanylaniline, aniline, 4-pentafluorothio-, SCHEMBL240645, 4-aminopentafluorosulfanylbenzene, 4-pentafluorosulfanyl-phenylamine, DTXSID90381310, BBL101550, SBB095749, STL555346, AKOS005254366, CS-W014898, FO87548, GS-5429, SB77202, SY057195, A2043, (Oc-6-21)-(4-Aminophenyl)Pentafluoro-Sulfur, EN300-129955, F0001-0923, 4-(Pentafluorothio)aniline, 4-(Pentafluorosulfanyl)aniline, 4-Aminophenylsulfur pentafluoride

Application

4-Aminophenylsulphur pentafluoride serves as a key intermediate in the synthesis of SF₅-containing pharmaceuticals due to its electron-withdrawing properties and metabolic stability. It is widely used in cross-coupling reactions to create biaryl systems for drug discovery, particularly in kinase inhibitors and antiviral agents. The compound also finds utility in materials science for designing high-performance polymers and liquid crystals with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H301+H311 (10%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
• H301 (30%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (30%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (30%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (70%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (70%): 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. 3 (30%)
• Acute Tox. 4 (60%)
• Acute Tox. 3 (30%)
• Acute Tox. 4 (60%)
• Skin Irrit. 2 (90%)
• Eye Irrit. 2 (90%)
• Acute Tox. 3 (30%)
• Acute Tox. 4 (70%)
• STOT SE 3 (70%)

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