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Di(2-hydroxyethyl)-disulfid
2-HYDROXYETHYL DISULFIDE · BIS(2-HYDROXYETHYL) DISULFIDE · 2,2'-Disulfanediylbis(ethan-1-ol) · HYDROXYETHYL DISULFIDE · 2-mercaptoethanoldisulfide · 2,2'-disulfanediyldiethanol · usafth-9 · USAF th-9
Identifikatoren & physikalische Daten
| CAS No. | 1892-29-1 |
|---|---|
| Summenformel | C4H10O2S2 |
| Durchschnittliche Molmasse | 154,3 g/mol |
| Monoisotopische Masse | 154,01222156 g/mol |
| SMILES | OCCSSCCO |
| InChIKey | KYNFOMQIXZUKRK-UHFFFAOYSA-N |
| PubChem CID | 15906 |
| ChEMBL | CHEMBL1233278 |
| ChEBI | CHEBI:43136 |
| EC No. | 217-576-6 |
| DTXSID | DTXSID4044404 |
| Lokaler Name | Di(2-hydroxyethyl)-disulfid |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 37 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Dichte | 1.261 @25 °C1.261 g/mL at 25 °C (lit.) |
| Siedepunkt | 158-163 °C at 3.50E+00 mm Hg160 °C @760 [mm Hg]158-163 °C/3.5 mmHg (lit.) |
| Schmelzpunkt | 25-27 °C25-27 °C (lit.) |
| Physical Description | LiquidColorless viscous liquid with an unpleasant odorMelting point approximately 25 deg C[Alfa Aesar MSDS] |
| Dampfdruck | 0.001Pa at 20℃ |
| Brechungsindex | n20/D 1.57(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 14.02±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Soluble in water, ethanol, acetone, and ether. |
| BRN | 1735851 |
| InChI | 1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 |
| InChIKey | KYNFOMQIXZUKRK-UHFFFAOYSA-N |
| SMILES | OCCSSCCO |
| LogP (Verteilungskoeffizient) | -0.3 at 19.9℃ |
| CAS Datenbank | 1892-29-1(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanol, 2,2'-dithiobis- (1892-29-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311 (37.4%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 278 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2,2'-dithiobis-Ethanol, 2,2'-dithiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-dithiobis- 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)REACH registered substance: 2,2'-dithiobisethanol (EC: 217-576-6)Ethanol, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes somnolence and ataxia in oral lethal-dose studies of rats[RTECS] A strong eye irritant that may cause serious eye injuryToxic by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (88.8%) |
| Protective Action Criteria (PAC) | 0.52 [mg/m3]5.7 [mg/m3]34 [mg/m3] |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29309099 |
| RTECS-Nr. | KK7525000 |
| R-Sätze (R) | 25-41 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-39-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Bis(2-hydroxyethyl) disulfide is used as an intermediate in chemical research.