HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Sulfinylanilin
N-SULFINYLANILINE · Thionylaniline · N-Sulfinylbenzenamine · Benzenamine, N-sulfinyl- · NSC 40228 · N-Thionylaniline · Phenylthionylamine · N-sulphinylaniline
Identifikatoren & physikalische Daten
| CAS No. | 1122-83-4 |
|---|---|
| Summenformel | C6H5NOS |
| Durchschnittliche Molmasse | 139,18 g/mol |
| Monoisotopische Masse | 139,00918478 g/mol |
| SMILES | O=S=Nc1ccccc1 |
| InChIKey | FIOJWGRGPONADF-UHFFFAOYSA-N |
| PubChem CID | 70739 |
| EC No. | 214-362-4 |
| DTXSID | DTXSID0061533 |
| Lokaler Name | N-Sulfinylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 200 °C (lit.) 83 °C/15 mmHg (lit.) |
| Dichte | 1.236 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.627(lit.) |
| Flammpunkt | 184 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | Liquid |
| Farbe | very strongly colored |
| Löslichkeit | Partly miscible in water. |
| BRN | 507682 |
| InChI | InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | FIOJWGRGPONADF-UHFFFAOYSA-N |
| SMILES | C1(N=S=O)=CC=CC=C1 |
| CAS Datenbank | 1122-83-4(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, N-sulfinyl- (1122-83-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 1 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29299090 |
| R-Sätze (R) | 36/37/38-42/43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-45-23 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Versatile synthetic intermediate.