HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methoxy-2-methylbenzothiazol
6-METHOXY-2-METHYLBENZO[D]THIAZOLE · NSC 93804 · 6-methoxy-2-methyl-benzothiazol · 6-Methoxy-2-Methylbenzothiazale · 2-METHYL-6-METHOXYBENZOTHIAZOLE · 6-Methoxy-2-methylbenzothiazole · Benzothiazole, 6-Methoxy-2-Methyl- · 6-Methoxy-2-methylbenzothiazole,97%
Identifikatoren & physikalische Daten
| CAS No. | 2941-72-2 |
|---|---|
| Summenformel | C9H9NOS |
| Durchschnittliche Molmasse | 179,24 g/mol |
| Monoisotopische Masse | 179,04048491 g/mol |
| SMILES | COc1ccc2nc(C)sc2c1 |
| InChIKey | DYHLJSUORLPGNT-UHFFFAOYSA-N |
| PubChem CID | 76254 |
| ChEMBL | CHEMBL3092381 |
| EC No. | 220-931-8 |
| DTXSID | DTXSID4062725 |
| Lokaler Name | 6-Methoxy-2-methylbenzothiazol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 182℃ (decomposition) |
| Siedepunkt | 284℃ |
| Dichte | 1.204 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.612(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 2.40±0.10(Predicted) |
| Aggregatzustand | liquid (clear) |
| Farbe | clear deep yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 4457 |
| InChI | InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3 |
| InChIKey | DYHLJSUORLPGNT-UHFFFAOYSA-N |
| SMILES | S1C2=CC(OC)=CC=C2N=C1C |
| EPA chemische Informationen | Benzothiazole, 6-methoxy-2-methyl- (2941-72-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29342000 |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Verwenden
6-Methoxy-2-methylbenzothiazole was used as an inhibitor of aryl hydrocarbon hydroxylase (PB/AHH) and aminopyrine N-demethylase (ADPM) in hepatic microsomes.