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2-(Methylthio)anilin
2-(Methylsulfanyl)aniline · methioaniline · o-Methioaniline · O-THIOANISIDINE · 2-AMINOTHIOANISOLE · O-AMINOTHIOANISOLE · 2-(METHYLTHIO)ANILINE · O-(METHYLTHIO)ANILINE
Identifikatoren & physikalische Daten
| CAS No. | 2987-53-3 |
|---|---|
| Summenformel | C7H9NS |
| Durchschnittliche Molmasse | 139,22 g/mol |
| Monoisotopische Masse | 139,04557029 g/mol |
| SMILES | CSc1ccccc1N |
| InChIKey | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| PubChem CID | 76337 |
| ChEBI | CHEBI:194955 |
| EC No. | 221-055-9 |
| DTXSID | DTXSID80183986 |
| Lokaler Name | 2-(Methylthio)anilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP (Verteilungskoeffizient) | 1.2 |
| Schmelzpunkt | 215 °C |
| Siedepunkt | 234 °C(lit.) |
| Dichte | 1.111 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.624(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C, protect from light, stored under nitrogen |
| Aggregatzustand | Powder and/or Chunks |
| pKa (Säurekonstante) | 3.45(at 25℃) |
| Wichte | 1.111 |
| Farbe | White to light beige |
| Löslichkeit | Soluble in water (less). |
| BRN | 386211 |
| InChI | 1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| InChIKey | WBRPQQSADOCKCH-UHFFFAOYSA-N |
| SMILES | CSc1ccccc1N |
| CAS Datenbank | 2987-53-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methylmercaptoaniline(2987-53-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (85.7%) |
| F | 2-8-10-13 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29309090 |
| RTECS-Nr. | CY1138333 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-(Methylthio)aniline used as important raw material and intermediate used in organic Synthesis, pharmaceuticals and agrochemicals.