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3,3'-Thiodipropiononitril
usafha-5 · USAF ha-5 · hiodipropionitrile · 2-cyanoethylsulfide · 2-Cyanoethyl sulfide · Dicyanoethyl sulfide · 2,2'-Thiodiethylkyanid · 2,2’-thiodiethylkyanid
Identifikatoren & physikalische Daten
| CAS No. | 111-97-7 |
|---|---|
| Summenformel | C6H8N2S |
| Durchschnittliche Molmasse | 140,21 g/mol |
| Monoisotopische Masse | 140,04081926 g/mol |
| SMILES | N#CCCSCCC#N |
| InChIKey | NDVLTZFQVDXFAN-UHFFFAOYSA-N |
| PubChem CID | 8151 |
| ChEMBL | CHEMBL3184544 |
| EC No. | 203-926-5 |
| DTXSID | DTXSID9026899 |
| Lokaler Name | 3,3'-Thiodipropiononitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 129 |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | Liquid |
| Schmelzpunkt | 24-25 °C(lit.) |
| Siedepunkt | 191-194 °C7 mm Hg(lit.) |
| Dichte | 1.11 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.499(lit.) |
| Flammpunkt | 195 °C |
| Aggregatzustand | liquid |
| BRN | 1701139 |
| InChI | 1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2 |
| InChIKey | NDVLTZFQVDXFAN-UHFFFAOYSA-N |
| SMILES | N#CCCSCCC#N |
| CAS Datenbank | 111-97-7(CAS DataBase Reference) |
| EPA chemische Informationen | 3,3'-Thiodipropionitrile (111-97-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanenitrile, 3,3'-thiobis-Propanenitrile, 3,3'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3,3'-thiobis- 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) |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29309099 |
| RTECS-Nr. | UG4375000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | mouse,LD50,intraperitoneal,300mg/kg (300mg/kg),National Technical Information Service. Vol. AD277-689, |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Preservative, selective solvent, chromatography.