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Atomfair Benzeneacetonitrile, 2-methyl-alpha-[2-[[(octylsulfonyl)oxy]imino]-3(2H)-thienylidene]- PAG108-Octane sulfonyl C21H26N2O3S2 CAS 852246-54-9

Benzeneacetonitrile, 2-methyl-alpha-[2-[[(octylsulfonyl)oxy]imino]-3(2H)-thienylidene]- (CAS: 852246-54-9) is a high-purity synthetic organic compound with the molecular formula C21H26N2O3S2. This specialized chemical features a unique structural configuration combining a benzeneacetonitrile core with an octylsulfonyl-substituted thienylidene moiety, making it valuable for advanced research applications. With a molecular weight of 418.57 g/mol, it is supplied as a fine powder or crystalline solid, ensuring optimal handling and solubility in organic solvents. Ideal for pharmaceutical intermediates, agrochemical development, and materials science research, this compound is rigorously tested for purity (≥98% by HPLC) and stability. Store under inert conditions at 2-8°C to maintain integrity.

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Description

Benzeneacetonitrile, 2-methyl-alpha-[2-[[(octylsulfonyl)oxy]imino]-3(2H)-thienylidene]- (CAS: 852246-54-9) is a high-purity synthetic organic compound with the molecular formula C21H26N2O3S2. This specialized chemical features a unique structural configuration combining a benzeneacetonitrile core with an octylsulfonyl-substituted thienylidene moiety, making it valuable for advanced research applications. With a molecular weight of 418.57 g/mol, it is supplied as a fine powder or crystalline solid, ensuring optimal handling and solubility in organic solvents. Ideal for pharmaceutical intermediates, agrochemical development, and materials science research, this compound is rigorously tested for purity (≥98% by HPLC) and stability. Store under inert conditions at 2-8°C to maintain integrity.

Properties

  • CAS Number: 852246-54-9
  • Complexity: 754
  • IUPAC Name: [[3-[cyano(o-tolyl)methylene]-2-thienylidene]amino] octane-1-sulfonate
  • InChI: InChI=1S/C21H26N2O3S2/c1-3-4-5-6-7-10-15-28(24,25)26-23-21-19(13-14-27-21)20(16-22)18-12-9-8-11-17(18)2/h8-9,11-14H,3-7,10,15H2,1-2H3
  • InChI Key: JPKTUVWLYYOYSD-UHFFFAOYSA-N
  • Exact Mass: 418.13848504
  • Molecular Formula: C21H26N2O3S2
  • Molecular Weight: 418.6
  • SMILES: CCCCCCCCS(=O)(=O)ON=C1C(=C(C#N)C2=CC=CC=C2C)C=CS1
  • Topological: 113
  • Monoisotopic Mass: 418.13848504
  • Synonyms: 852246-54-9, DTXSID00889216, Benzeneacetonitrile, 2-methyl-.alpha.-[2-[[(octylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, 2-Methyl-alpha-[2-[[(octylsulfonyl)oxy]imino]-3(2h)-thienylidene]benzeneacetonitrile, 2-Methyl-alpha-(2-(((octylsulfonyl)oxy)imino)-3(2H)-thienylidene)benzeneacetonitrile, Benzeneacetonitrile, 2-methyl-alpha-[2-[[(octylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, Benzeneacetonitrile, 2-methyl-alpha-(2-(((octylsulfonyl)oxy)imino)-3(2H)-thienylidene)-, DTXCID801028483, 457-510-5, PAG108-Octane sulfonyl, SCHEMBL2023710, JPKTUVWLYYOYSD-UHFFFAOYSA-N, DB-150331, [[3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] octane-1-sulfonate

This compound serves as a key intermediate in the synthesis of photoacid generators (PAGs) used in advanced photoresist formulations for semiconductor manufacturing. Researchers utilize its sulfonyl-imino-thienylidene structure to study novel polymerization initiators in material science. It is also explored in agrochemical research for designing bioactive molecules due to its unique heterocyclic reactivity. Additionally, its potential as a ligand in catalytic systems is under investigation for organic transformations.

Safety and Hazards

GHS Hazard Statements

  • H228 (100%): Flammable solid [Danger Flammable solids]
  • H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

  • P210, P240, P241, P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, and P501

Hazard Classes and Categories

  • Flam. Sol. 2 (100%)
  • Skin Sens. 1 (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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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