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Phenylvinylsulfon
(Vinylsulfonyl)benzene · PHENYL VINYL SULPHONE · URI 744 · PhenyVinySulfone · PHENYLVINYLSULTONE · Phenyl vinyl sufone · VINYL PHENYL SULFONE · Sulfone, phenyl vinyl
Identifikatoren & physikalische Daten
| CAS No. | 5535-48-8 |
|---|---|
| Summenformel | C8H8O2S |
| Durchschnittliche Molmasse | 168,21 g/mol |
| Monoisotopische Masse | 168,0245005 g/mol |
| SMILES | C=CS(=O)(=O)c1ccccc1 |
| InChIKey | UJTPZISIAWDGFF-UHFFFAOYSA-N |
| PubChem CID | 79664 |
| ChEMBL | CHEMBL165058 |
| EC No. | 226-890-2 |
| DTXSID | DTXSID50203903 |
| Lokaler Name | Phenylvinylsulfon |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 67-69 °C (lit.) |
| Siedepunkt | 267.16°C (rough estimate) |
| Dichte | 1.2660 (rough estimate) |
| Brechungsindex | 1.5090 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | It is soluble in most common organic solvents. |
| Aggregatzustand | Solid |
| Farbe | White |
| BRN | 1906894 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | UJTPZISIAWDGFF-UHFFFAOYSA-N |
| SMILES | C1(S(C=C)(=O)=O)=CC=CC=C1 |
| CAS Datenbank | 5535-48-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (ethenylsulfonyl)-(5535-48-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, (ethenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38-43-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
As common reagent, Phenyl vinyl sulfone is used in a variety of cycloaddition reactions to form cyclopropanes,1 cyclohexenes,2,3 and cyclooctadienes.