Description

2-Bromo-4-(pentafluorosulfanyl)aniline (CAS No. 159727-25-0) is a high-purity, specialized aromatic compound with the molecular formula C₆H₅BrF₅NS. This organofluorine building block features a reactive bromo substituent and a pentafluorosulfanyl (-SF₅) group, making it valuable for advanced synthetic applications. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency. Ideal for pharmaceutical intermediates, agrochemical development, and materials science research. Packaged under inert gas in amber glass vials to ensure stability. MSDS and analytical data (NMR, GC/MS) available upon request.

Properties

• CAS Number: 159727-25-0
• Complexity: 238
• IUPAC Name: 2-bromo-4-(pentafluoro-lambda6-sulfanyl)aniline
• InChI: InChI=1S/C6H5BrF5NS/c7-5-3-4(1-2-6(5)13)14(8,9,10,11)12/h1-3H,13H2
• InChI Key: BYEXDMPBPSYTNU-UHFFFAOYSA-N
• Exact Mass: 296.92462
• Molecular Formula: C6H5BrF5NS
• Molecular Weight: 298.07
• SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)Br)N
• Topological: 27
• Monoisotopic Mass: 296.92462
• Synonyms: 2-bromo-4-(pentafluorosulfanyl)aniline, 828-990-7, 159727-25-0, (4-Amino-3-bromophenyl)pentafluorosulfur, 2-Bromo-4-(pentafluoro-6-sulfanyl)aniline, 2-bromo-4-(pentafluoro-lambda6-sulfanyl)aniline, 4-Amino-3-bromophenylsulphur pentafluoride, 2-Bromo-4-(pentafluorothio)aniline, MFCD20731078, SCHEMBL1633801, DTXSID60514512, BYEXDMPBPSYTNU-UHFFFAOYSA-N, JGA72725, AKOS025213021, AT25752, 4-Amino-3-bromophenylsulfur pentafluoride, 4-amino-3-bromophenyl sulfur pentafluoride, CS-0233165, 2-bromo-4-(pentafluoro-|E?-sulfanyl)aniline, EN300-131367, 2-BROMO-4-(PENTAFLUORO-L6-SULFANYL)ANILINE, 2-Bromo-4-(pentafluoro-lambda~6~-sulfanyl)aniline

Application

This compound serves as a versatile intermediate in the synthesis of SF₅-containing bioactive molecules for medicinal chemistry applications. The pentafluorosulfanyl group enhances lipophilicity and metabolic stability in drug candidates. Researchers utilize it to develop novel PET radiotracers due to the fluorine content. In materials science, it acts as a precursor for high-performance polymers with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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