HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzothiazol-6-amin
benzo[d]thiazol-6-amine · 1,3-BENZOTHIAZOL-6-AMINE · BUTTPARK 98\57-13 · 6-BENZOTHIAZOLAMINE · benzothiazol-6-amine · 6-AMINOBENZOTHIAZOLE · 6-amino-benzothiazol · Benzothiazole-6-amine
Identifikatoren & physikalische Daten
| CAS No. | 533-30-2 |
|---|---|
| Summenformel | C7H6N2S |
| Durchschnittliche Molmasse | 150,2 g/mol |
| Monoisotopische Masse | 150,02516919 g/mol |
| SMILES | Nc1ccc2ncsc2c1 |
| InChIKey | FAYAYUOZWYJNBD-UHFFFAOYSA-N |
| PubChem CID | 68288 |
| EC No. | 208-559-4 |
| DTXSID | DTXSID90201443 |
| Lokaler Name | Benzothiazol-6-amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 87-91 °C (lit.) |
| Siedepunkt | 323.1±15.0 °C(Predicted) |
| Dichte | 1.2162 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.74±0.10(Predicted) |
| Farbe | Yellow to Beige |
| Merck | 14,425 |
| BRN | 116381 |
| InChI | 1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2 |
| InChIKey | FAYAYUOZWYJNBD-UHFFFAOYSA-N |
| SMILES | Nc1ccc2ncsc2c1 |
| CAS Datenbank | 533-30-2(CAS DataBase Reference) |
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29342000 |
| RTECS-Nr. | DL1050200 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Aminobenzothiazole is used as pharmaceutical intermediate.