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Atomfair 3,5,6,7-Tetrahydro-2-methyl-s-indacen-1(2H)-one C13H14O CAS 202667-44-5

3,5,6,7-Tetrahydro-2-methyl-s-indacen-1(2H)-one (CAS No. 202667-44-5) is a high-purity organic compound with the molecular formula C13H14O . This bicyclic ketone features a unique s-indacene core structure methylated at the 2-position, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 186.25 g/mol, this compound is supplied as a crystalline solid with guaranteed ≥95% purity (HPLC). Ideal for researchers developing novel pharmaceuticals, ligands, or functional materials, its rigid fused-ring system offers versatile reactivity for further derivatization. Each batch is rigorously analyzed by GC-MS,1H/13C NMR, and elemental analysis to ensure consistency. Store under inert atmosphere at 2-8°C…

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Description

3,5,6,7-Tetrahydro-2-methyl-s-indacen-1(2H)-one (CAS No. 202667-44-5) is a high-purity organic compound with the molecular formula C13H14O. This bicyclic ketone features a unique s-indacene core structure methylated at the 2-position, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 186.25 g/mol, this compound is supplied as a crystalline solid with guaranteed ≥95% purity (HPLC). Ideal for researchers developing novel pharmaceuticals, ligands, or functional materials, its rigid fused-ring system offers versatile reactivity for further derivatization. Each batch is rigorously analyzed by GC-MS, 1H/13C NMR, and elemental analysis to ensure consistency. Store under inert atmosphere at 2-8°C for optimal stability.

Properties

  • CAS Number: 202667-44-5
  • Complexity: 258
  • IUPAC Name: 2-methyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one
  • InChI: InChI=1S/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3
  • InChI Key: HUGFGAJICGDGBY-UHFFFAOYSA-N
  • Exact Mass: 186.104465066
  • Molecular Formula: C13H14O
  • Molecular Weight: 186.25
  • SMILES: CC1CC2=C(C1=O)C=C3CCCC3=C2
  • Topological: 17.1
  • Monoisotopic Mass: 186.104465066
  • Synonyms: 202667-44-5, 3,5,6,7-Tetrahydro-2-methyl-s-indacen-1(2H)-one, 606-481-9, 2-METHYL-2,3,6,7-TETRAHYDRO-S-INDACEN-1(5H)-ONE, 2-methyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one, 2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one, 2-Methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one, s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-, 2-Methyl-indacen-1-on, SCHEMBL410953, DTXSID50449602, HUGFGAJICGDGBY-UHFFFAOYSA-N, MFCD11850102, AKOS016007141, DB-240776, DB-330453, 3,5,6,7-Tetrahydro-2-methyl-s-indacene-1-one

Application

This compound serves as a key building block in pharmaceutical research, particularly for developing kinase inhibitors and other bioactive molecules targeting neurological disorders. Its structural motif is valuable in materials science for creating organic semiconductors with enhanced charge transport properties. Researchers also utilize it as a precursor for chiral ligands in asymmetric catalysis applications.

Safety and Hazards

GHS Hazard Statements

  • H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

  • P264, P264+P265, P280, P301+P316, P302+P352, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P405, and P501

Hazard Classes and Categories

  • Asp. Tox. 1 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (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

By purchasing, the buyer agrees to:

  • 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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