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Triphenylmethanthiol
TRIPHENYLMETHANETHIOL · TRITYL MERCAPTAN · TRIPHENYLMETHYL MERCAPTAN · TRITYLTHIOL · TIMTEC-BB SBB007907 · trityl hydrosulphide · Triphenylmethanthiol · triphenyl-methanethio
Identifikatoren & physikalische Daten
| CAS No. | 3695-77-0 |
|---|---|
| Summenformel | C19H16S |
| Durchschnittliche Molmasse | 276,4 g/mol |
| Monoisotopische Masse | 276,09727151 g/mol |
| SMILES | SC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | JQZIKLPHXXBMCA-UHFFFAOYSA-N |
| PubChem CID | 77281 |
| ChEMBL | CHEMBL402454 |
| EC No. | 223-020-3 |
| DTXSID | DTXSID1063142 |
| Lokaler Name | Triphenylmethanthiol |
Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 235 |
| Schmelzpunkt | 104-106 °C (lit.) |
| Siedepunkt | 379.3°C (rough estimate) |
| Dichte | 1.1716 (rough estimate) |
| Brechungsindex | 1.6170 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 8.87±0.10(Predicted) |
| Farbe | Cream to pale yellow |
| Löslichkeit | It is insoluble in water. |
| BRN | 2113168 |
| InChI | InChI=1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H |
| InChIKey | JQZIKLPHXXBMCA-UHFFFAOYSA-N |
| SMILES | C(S)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1 |
| CAS Datenbank | 3695-77-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenemethanethiol, .alpha.,.alpha.-diphenyl- (3695-77-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 17-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21135 |
| Hazard Classes and Categories | Skin Irrit. 2 (10.9%) |
| F | 10-13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3335 |
| Zollcode | 29309090 |
| RTECS-Nr. | PB5335000 |
| R-Sätze (R) | 20 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Triphenylmethyl mercaptan, is used as a reagent used for the introduction of thiol group. Triphenylmethanethiol is a reagent used for the mild introduction of the mercapto functionality. It is also used as a pharmaceutical intermediate; Chemical synthesis.