HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thianthren
Thianthren · AKOS 90207 · hianthrene · THIANTHRENE · Thiaanthrene · Thianthrene,97% · Thianthrene >Thianthrene ,98% · THIANTHRENE, 99+%
Identifikatoren & physikalische Daten
| CAS No. | 92-85-3 |
|---|---|
| Summenformel | C12H8S2 |
| Durchschnittliche Molmasse | 216,3 g/mol |
| Monoisotopische Masse | 216,00674226 g/mol |
| SMILES | c1ccc2c(c1)Sc1ccccc1S2 |
| InChIKey | GVIJJXMXTUZIOD-UHFFFAOYSA-N |
| PubChem CID | 7109 |
| ChEMBL | CHEMBL488176 |
| ChEBI | CHEBI:64511 |
| EC No. | 202-197-0 |
| DTXSID | DTXSID6059071 |
| Lokaler Name | Thianthren |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 162 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| LogP (Verteilungskoeffizient) | 4.47 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Dampfdruck | 0.000031 [mmHg] |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 151-155 °C (lit.) |
| Siedepunkt | 364-366 °C (lit.) |
| Dichte | 1.4420 |
| Brechungsindex | 1.6210 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMF: soluble |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 83046 |
| Henry-Konstante | 4.0×100 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI | 1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H |
| InChIKey | GVIJJXMXTUZIOD-UHFFFAOYSA-N |
| SMILES | S1c2ccccc2Sc3ccccc13 |
| CAS Datenbank | 92-85-3(CAS DataBase Reference) |
| NIST chemische Informationen | Thianthrene(92-85-3) |
| EPA chemische Informationen | Thianthrene (92-85-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.Not ClassifiedAggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Thianthrene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Thianthrene has been used to study aqueous solubilities of several solid nitrogen-, sulfur- and oxygen-containing heterocyclic derivatives of anthracene, phenanthrene and fluorene. It has been used in determination of partition coefficients of several sulfur-containing aromatics in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and supercritical carbon dioxide.
Herstellung & Synthese
synthetische
Thianthrene was first synthesized by John Stenhouse by dry distillation of sodium benzenesulfonate. Thianthrene can be prepared by treating benzene with disulfur dichloride in the presence of aluminium chloride.