HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylbenzothiazol-2-ylamin
6-METHYLBENZO[D]THIAZOL-2-AMINE · 2-Benzothiazolamine, 6-methyl- · SKF 1045 · AURORA 18562 · ASISCHEM C58427 · AKOS BBS-00005695 · IFLAB-BB F1386-0393 · TIMTEC-BB SBB000152
Identifikatoren & physikalische Daten
| CAS No. | 2536-91-6 |
|---|---|
| Summenformel | C8H8N2S |
| Durchschnittliche Molmasse | 164,23 g/mol |
| Monoisotopische Masse | 164,04081926 g/mol |
| SMILES | Cc1ccc2nc(N)sc2c1 |
| InChIKey | DZWTXWPRWRLHIL-UHFFFAOYSA-N |
| PubChem CID | 17335 |
| ChEMBL | CHEMBL94512 |
| EC No. | 219-801-3 |
| DTXSID | DTXSID0062501 |
| Lokaler Name | 6-Methylbenzothiazol-2-ylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 140-142 °C (lit.) |
| Siedepunkt | 322.0±35.0 °C(Predicted) |
| Dichte | 1.1724 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystalline |
| pKa (Säurekonstante) | 4.41±0.10(Predicted) |
| Farbe | White to Orange to Green |
| CAS Datenbank | 2536-91-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Benzothiazolamine, 6-methyl-(2536-91-6) |
| EPA chemische Informationen | 2-Benzothiazolamine, 6-methyl- (2536-91-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Benzothiazolamine, 6-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29342000 |
| RTECS-Nr. | DL2625000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Verwenden
2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.