HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
β,β-Styroldicarbonitril
BENZALMALONONITRILE · 2-Benzylidenepropanedinitrile · tl237 · f2370 · benzal-malonitril · AKOS USSH-4110217 · RARECHEM AL BX 0531 · Dicyanovinylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 2700-22-3 |
|---|---|
| Summenformel | C10H6N2 |
| Durchschnittliche Molmasse | 154,17 g/mol |
| Monoisotopische Masse | 154,05309819 g/mol |
| SMILES | N#CC(C#N)=Cc1ccccc1 |
| InChIKey | WAVNYPVYNSIHNC-UHFFFAOYSA-N |
| PubChem CID | 17608 |
| EC No. | 220-283-6 |
| DTXSID | DTXSID10181490 |
| Lokaler Name | β,β-Styroldicarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 247 |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | 2.15 |
| Schmelzpunkt | 83-85 °C (lit.) |
| Siedepunkt | 120-125°C 0,6mm |
| Dichte | 1.1975 (rough estimate) |
| Brechungsindex | 1.4820 (estimate) |
| Flammpunkt | 120-125°C/0.6mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| BRN | 1907519 |
| CAS Datenbank | 2700-22-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269095 |
| RTECS-Nr. | OO3500000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Benzylidenemalononitrile was used in fluorescence-based assay for determination of soluble methane monooxygenase activity in solution.