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Diphenylsulfid
diphenylsulfane · PHENYL SULFIDE · DIPHENYL SULPHIDE · phenyl thioether · Diphenyl sulphide 99% · 1,1’-Thiobis[benzene] · C12H10S · NSC 4568
Identifikatoren & physikalische Daten
| CAS No. | 139-66-2 |
|---|---|
| Summenformel | C12H10S |
| Durchschnittliche Molmasse | 186,27 g/mol |
| Monoisotopische Masse | 186,05032132 g/mol |
| SMILES | c1ccc(Sc2ccccc2)cc1 |
| InChIKey | LTYMSROWYAPPGB-UHFFFAOYSA-N |
| PubChem CID | 8766 |
| ChEMBL | CHEMBL219876 |
| ChEBI | CHEBI:38959 |
| EC No. | 205-371-4 |
| DTXSID | DTXSID8044383 |
| Lokaler Name | Diphenylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 116 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 4.45 |
| Physical Description | Colorless nearly odorless liquid[Merck Index] Unpleasant odor[Alfa Aesar MSDS] |
| Schmelzpunkt | -40 °C (lit.) |
| Siedepunkt | 296 °C (lit.) |
| Dichte | 1.113 g/mL at 20 °C (lit.) |
| Dampfdruck | 0.01 hPa (25 °C) |
| Brechungsindex | n20/D 1.6327(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in ether, benzene, carbon disulphide.insoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Merck | 14,7314 |
| BRN | 1907932 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
| InChIKey | LTYMSROWYAPPGB-UHFFFAOYSA-N |
| SMILES | S(c1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 4.63 at 20℃ |
| CAS Datenbank | 139-66-2(CAS DataBase Reference) |
| NIST chemische Informationen | Diphenyl sulfide(139-66-2) |
| EPA chemische Informationen | Diphenyl sulfide (139-66-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 191 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,1'-thiobis-Benzene, 1,1'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22903Diphenyl sulphide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A severe skin irritantCauses changes in liver and bladder weights and effects on food intake in 13-week oral studies of rats[RTECS] A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See Methyl phenyl sulfide. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 2930 90 98 |
| RTECS-Nr. | SX2275000 |
| R-Sätze (R) | 22-38-50/53-36/38 |
| Toxizität | LD50 orally in rats: 0.49 ml/kg (Smyth) |
| Gefahrensymbole | Xn,N |
| hazard_note | Harmful/Stench |
| Sicherheitshinweise (S) | 23-28-60-61-37/39-26 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diphenyl Sulfide is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential Impurity of Fenticonazole Nitrate (F279250).