300802

1,4,7-Trithiacyclononane

97%

• Synonym(s): Triethylene trisulfide
• Empirical Formula (Hill Notation): C₆H₁₂S₃
• CAS Number: 6573-11-1
• Molecular Weight: 180.35
• Beilstein/REAXYS Number: 1616445
• MDL number: MFCD00010859
• UNSPSC Code: 12352005
• PubChem Substance ID: 24857942
• NACRES: NA.22

Properties

• assay: 97%
• form: solid
• mp: 78-81 °C (lit.)
• functional group: thioether
• SMILES string: C1CSCCSCCS1
• InChI: 1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
• InChI key: PQNPKQVPJAHPSB-UHFFFAOYSA-N

Description

Application

1,4,7-Trithiacyclononane (9S3) is a tridentate thioether ligand that can be used to prepare complexes with a wide variety of transition metal ions. These complexes often possess exceptional electronic and redox properties. 9S3 ligand reacts with palladium metal ion to form palladium(II) thioether complex, which is used as a catalyst in the C-H activation reactions. Manganese complex of 9S3 ligand is employed as a catalyst for the oxidation of olefins, alkanes, and alcohols.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves