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2,2'-Dithiodipyridin
1,2-Di(pyridin-2-yl)disulfane · Aldrithiol · 2-PDS · ALDRITHIOL-2 · Dithiodipyridine · 2-Aldrithiol · Dipyridyldisulfide · 2,2'-Dipyridyl disulfide
Identifikatoren & physikalische Daten
| CAS No. | 2127-03-9 |
|---|---|
| Summenformel | C10H8N2S2 |
| Durchschnittliche Molmasse | 220,3 g/mol |
| Monoisotopische Masse | 220,01289026 g/mol |
| SMILES | c1ccc(SSc2ccccn2)nc1 |
| InChIKey | HAXFWIACAGNFHA-UHFFFAOYSA-N |
| PubChem CID | 65093 |
| ChEMBL | CHEMBL118678 |
| ChEBI | CHEBI:143170 |
| EC No. | 218-343-1 |
| DTXSID | DTXSID70175517 |
| Lokaler Name | 2,2'-Dithiodipyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 148 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| Löslichkeit | 25.5 [ug/mL] (The mean of the results at pH 7.4)methanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow5 g/L (20 ºC) |
| Schmelzpunkt | 58 °C56-58 °C(lit.) |
| Physical Description | White crystalline powder[Alfa Aesar MSDS] |
| Siedepunkt | 356.1±17.0 °C(Predicted) |
| Dichte | 1.3078 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 210 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 1.52±0.19(Predicted) |
| Farbe | Clear colorless to yellow to tan |
| BRN | 154629 |
| InChI | 1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H |
| InChIKey | HAXFWIACAGNFHA-UHFFFAOYSA-N |
| SMILES | S(Sc1ccccn1)c2ccccn2 |
| LogP (Verteilungskoeffizient) | 2.530 (est) |
| CAS Datenbank | 2127-03-9(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 2,2'-dithiobis-(2127-03-9) |
| EPA chemische Informationen | Pyridine, 2,2'-dithiobis- (2127-03-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.5% (1 of 66) of reports.WarningH315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Pyridine, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (98.5%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3335 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-37-20/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-37/39-25-22-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Selbstentzündungstemperatur | 340 °C |
Anwendungen & Verwendung
Verwenden
2,2'-Dipyridyldisulfide, sometimes known as DPS, is used for preparing thiols and activating or protecting carboxylic acid with triphenylphosphine.