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Pentan-1,5-dithiol
pentane-1,5-dithiol · 1,5-PENTANODITHIOL · 1,5-PENTANEDITHIOL · Pentan-1,5-dithiol · 1,5-diamyl mercapt · Pentane-1,5-bisthiol · 1,5-diamyl mercaptan · 1,5-DIMERCAPTOPENTANE
Identifikatoren & physikalische Daten
| CAS No. | 928-98-3 |
|---|---|
| Summenformel | C5H12S2 |
| Durchschnittliche Molmasse | 136,3 g/mol |
| Monoisotopische Masse | 136,03804238 g/mol |
| SMILES | SCCCCCS |
| InChIKey | KMTUBAIXCBHPIZ-UHFFFAOYSA-N |
| PubChem CID | 70236 |
| EC No. | 213-194-9 |
| DTXSID | DTXSID40239150 |
| Lokaler Name | Pentan-1,5-dithiol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 25,3 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -72 °C (lit.) |
| Siedepunkt | 107-108 °C/15 mmHg (lit.) |
| Dichte | 1.016 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 10.14±0.10(Predicted) |
| Wichte | 1.016 |
| Farbe | Colourless |
| BRN | 1732335 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2 |
| InChIKey | KMTUBAIXCBHPIZ-UHFFFAOYSA-N |
| SMILES | SCCCCCS |
| LogP (Verteilungskoeffizient) | 2.685 (est) |
| CAS Datenbank | 928-98-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,5-Pentanedithiol(928-98-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,5-Pentanedithiol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3334 |
| Zollcode | 29309070 |
| R-Sätze (R) | 36/37/38-20/21/22-20/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26-36-9 |
| Gefahrenklasse | 9 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,5-Pentanedithiol was used as a cross-linker in the preparation of colloidal Au/Ag multilayer films. It was also used as derivatization reagent in determination of organoarsenic compounds in fish by GC-MS analysis.