HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3,5-Trithian
S-TRITHIANE · Thioform · sym-Trithian · (SYM) TRITHIANE · 1,3,5-TRITHIANE · s-Trithiane,97% · TRITHIOFORMALDEHYDE · 1,3,5-Trithiane >Trimethylentrisulfid
Identifikatoren & physikalische Daten
| CAS No. | 291-21-4 |
|---|---|
| Summenformel | C3H6S3 |
| Durchschnittliche Molmasse | 138,3 g/mol |
| Monoisotopische Masse | 137,96316371 g/mol |
| SMILES | C1SCSCS1 |
| InChIKey | LORRLQMLLQLPSJ-UHFFFAOYSA-N |
| PubChem CID | 9264 |
| ChEBI | CHEBI:39196 |
| EC No. | 206-029-7 |
| DTXSID | DTXSID2059778 |
| Lokaler Name | 1,3,5-Trithian |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 21 |
| Schmelzpunkt | 220 °C215-220 °C (dec.)(lit.) |
| Physical Description | White solid with a strong offensive odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 12591271 |
| Siedepunkt | 376.28°C (estimate) |
| Dichte | 1.637 |
| Brechungsindex | 1.7000 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Very Slightly, Heated), DMSO (Very Slightly, Heated) |
| Aggregatzustand | solid |
| Farbe | White to Off-White |
| Spezifische Wärmekapazität | Cp(gas): 0.8 J/(g·K), at 25℃ |
| BRN | 79834 |
| InChI | 1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2 |
| InChIKey | LORRLQMLLQLPSJ-UHFFFAOYSA-N |
| SMILES | C1SCSCS1 |
| LogP (Verteilungskoeffizient) | 1.939 (est) |
| CAS Datenbank | 291-21-4(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3,5-Trithiane (291-21-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 1,3,5-Trithiane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild skin and eye irritantIntraperitoneal LD50 (mouse) = 250 mg/kg[RTECS] A mild skin irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Eye Irrit. 2 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2930.90.9250 |
| RTECS-Nr. | YL8225000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,3,5-Trithiane is an precursor to organosulfur reagents.