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[Methylenbis(thio)]bisbenzol
Bis(phenylthio) · DIPHENYLTHIOMETHANE · Bis(phenyithio)methane · Bis(phenylthio)methane · Bis(thiophenoxy)methane · Bis(phenylthio)methane,97% · Bis(phenylthio)methane >Bis(phenylthio)methane,98+% · Methylenebis(phenyl sulfide)
![Molekülstruktur von [Methylenbis(thio)]bisbenzol](/img/chemical/77097.png)
Identifikatoren & physikalische Daten
| CAS No. | 3561-67-9 |
|---|---|
| Summenformel | C13H12S2 |
| Durchschnittliche Molmasse | 232,4 g/mol |
| Monoisotopische Masse | 232,03804238 g/mol |
| SMILES | c1ccc(SCSc2ccccc2)cc1 |
| InChIKey | ZHUPZVIALZHGGP-UHFFFAOYSA-N |
| PubChem CID | 77097 |
| EC No. | 222-624-4 |
| DTXSID | DTXSID20189083 |
| Lokaler Name | [Methylenbis(thio)]bisbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 34-37 °C(lit.) |
| Siedepunkt | 194 °C8 mm Hg(lit.) |
| Dichte | 1.2633 (rough estimate) |
| Brechungsindex | 1.6210 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1874146 |
| InChI | 1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | ZHUPZVIALZHGGP-UHFFFAOYSA-N |
| SMILES | C(Sc1ccccc1)Sc2ccccc2 |
| CAS Datenbank | 3561-67-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1,1'-[methylenebis(thio)]bis-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3335 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | STENCH |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Bis(phenylthio)methane (PhSCH2SPh) may be used in the synthesis of the following:dihydroxy thioethers[Cu4I4{μ-PhS2CH2SPh}2]n[(η5-C5Me5)MCl2(η1-(PhS)2CH2)] (M=Rh, Ir ; C5Me5= pentamethylcyclopentadienyl)6-deoxy-1,2:3,4-di-O-isopropylidene-α-D-galactoheptodialdo-1,5-pyranose diphenyl dithioacetal