HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Adamantylthiol
1-AdSH · 1-AdmSH · NSC 193486 · AKOS BC-0509 · 1-Adamantylthiol · 1-Adamantanethiol · adaMantane-1-thiol · CHEMBRDG-BB 4013918
Identifikatoren & physikalische Daten
| CAS No. | 34301-54-7 |
|---|---|
| Summenformel | C10H16S |
| Durchschnittliche Molmasse | 168,3 g/mol |
| Monoisotopische Masse | 168,09727151 g/mol |
| SMILES | SC12CC3CC(CC(C3)C1)C2 |
| InChIKey | ADJJLNODXLXTIH-UHFFFAOYSA-N |
| PubChem CID | 99730 |
| EC No. | 628-498-0 |
| DTXSID | DTXSID10187871 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| Schmelzpunkt | 99-106 °C |
| Siedepunkt | 237.8±9.0℃ (760 Torr) |
| Dichte | 1.09±0.1 g/cm3 (20 ºC 760 Torr) |
| Flammpunkt | 94.2±16.7℃ |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 11.05±0.20(Predicted) |
| InChI | InChI=1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2 |
| InChIKey | ADJJLNODXLXTIH-UHFFFAOYSA-N |
| SMILES | C12(S)CC3CC(CC(C3)C1)C2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 2930909899 |
| R-Sätze (R) | 25-36-51/53 |
| Gefahrensymbole | T,N |
| Sicherheitshinweise (S) | 26-36/37-45-60-61 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Displaceable Monolayers and Microdisplacement Printing: 1-Adamantanethiol Assembly and Applications