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2,2-Dimethylthiazolidin
2,2-Dimethyl-1,3-thiazolidine · Brn 0102789 · Einecs 242-980-4 · 2,2-Dimethylthiazoli · 822-44-6 (Hydrochloride) · 2,2-DIMETHYLTHIAZOLIDINE · 2,2-DIMETHYL-THIAZOLIDIN · 2,2-Dimethyl Thioazolidine
Identifikatoren & physikalische Daten
| CAS No. | 19351-18-9 |
|---|---|
| Summenformel | C5H11NS |
| Durchschnittliche Molmasse | 117,22 g/mol |
| Monoisotopische Masse | 117,06122053 g/mol |
| SMILES | CC1(C)NCCS1 |
| InChIKey | SNPQRYOQWLOTFA-UHFFFAOYSA-N |
| PubChem CID | 88015 |
| EC No. | 242-980-4 |
| DTXSID | DTXSID3051832 |
| Lokaler Name | 2,2-Dimethylthiazolidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70,5 |
| Siedepunkt | 61 °C / 15mmHg |
| Dichte | 1,02 g/cm3 |
| Dampfdruck | 2.01hPa at 25℃ |
| Brechungsindex | 1.5100-1.5140 |
| Flammpunkt | 55°C |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | 8.97±0.40(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| InChI | InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3 |
| InChIKey | SNPQRYOQWLOTFA-UHFFFAOYSA-N |
| SMILES | S1CCNC1(C)C |
| LogP (Verteilungskoeffizient) | 1.38 |
| CAS Datenbank | 19351-18-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,2-Dimethylthiazolidine(19351-18-9) |
| EPA chemische Informationen | Thiazolidine, 2,2-dimethyl- (19351-18-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (83.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 2,2-dimethylthiazolidine (EC: 242-980-4)Thiazolidine, 2,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (83.6%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| Zollcode | 2934999090 |
| RTECS-Nr. | XJ5565700 |
| R-Sätze (R) | 10-36/37/38-25 |
| Toxizität | mouse,LD50,parenteral,500mg/kg (500mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 433, 1982. |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,2-Dimethylthiazolidine is a promising radioprotectants.