HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenothiazine-10-propionitrile
NSC 21556 · NSC 139052 · 10-(2-Cyanoethyl)phenothiazine · Phenothiazine-10-propionitrile · 10H-Phenothiazine-10-propanenitrile · 3-(Phenothiazin-10-yl)propanenitrile
Identifikatoren & physikalische Daten
| CAS No. | 1698-80-2 |
|---|---|
| Summenformel | C15H12N2S |
| Durchschnittliche Molmasse | 252,3 g/mol |
| Monoisotopische Masse | 252,07211938 g/mol |
| SMILES | N#CCCN1c2ccccc2Sc2ccccc21 |
| InChIKey | YYDIIBWHOHWIOM-UHFFFAOYSA-N |
| PubChem CID | 228554 |
| EC No. | 180-912-4 |
| DTXSID | DTXSID30281406 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 313 |
| Schmelzpunkt | 158-159 °C |
| Siedepunkt | 448.8±34.0 °C(Predicted) |
| Dichte | 1.236±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly, Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.33±0.20(Predicted) |
| Farbe | White |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
10H-Phenothiazine-10-propanenitrile is a reagent used in the addition of Phenothiazine (P318040).