HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenylvinylsulfid
phenyl(vinyl)sulfane · Phenylthioethene · Vinylthiobenzene · (Ethenylthio)benzene · (PHENYLTHIO)ETHYLENE · Phenyletherylsulfide · Vinyl phenyl sulfide · Phenyl vinyl sulfide
Identifikatoren & physikalische Daten
| CAS No. | 1822-73-7 |
|---|---|
| Summenformel | C8H8S |
| Durchschnittliche Molmasse | 136,22 g/mol |
| Monoisotopische Masse | 136,03467126 g/mol |
| SMILES | C=CSc1ccccc1 |
| InChIKey | GMPDOIGGGXSAPL-UHFFFAOYSA-N |
| PubChem CID | 74572 |
| ChEMBL | CHEMBL2323850 |
| ChEBI | CHEBI:173571 |
| EC No. | 217-351-2 |
| DTXSID | DTXSID60171265 |
| Lokaler Name | Phenylvinylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 82,6 |
| SpringerMaterials Properties | Schoenflies notation |
| Siedepunkt | 94-95 °C/25 mmHg (lit.) |
| Dichte | 1.042 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.599(lit.) |
| Flammpunkt | 114 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Wichte | 1.042 |
| BRN | 969970 |
| InChI | 1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | GMPDOIGGGXSAPL-UHFFFAOYSA-N |
| SMILES | C=CSc1ccccc1 |
| CAS Datenbank | 1822-73-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (ethenylthio)-(1822-73-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzene, (ethenylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Phenyl vinyl sulfide was used in the synthesis of 2-fluoropyridinyl-6-oxy- precursors.