HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methylbenzo[b]thiophen
5-METHYLBENZO[B]THIOPHENE · BUTTPARK 33\04-62 · 5-methylthianaphthene · 5-METHYLBENZOTHIOPHENE · Benzothiophene, 5-mehyl · Trofinetide Impurity 13 · 5-METHYL-1-BENZOTHIOPHENE · Benzo[b]thiophene, 5-methyl-
![Molekülstruktur von 5-Methylbenzo[b]thiophen](/img/chemical/84346.png)
Identifikatoren & physikalische Daten
| CAS No. | 14315-14-1 |
|---|---|
| Summenformel | C9H8S |
| Durchschnittliche Molmasse | 148,23 g/mol |
| Monoisotopische Masse | 148,03467126 g/mol |
| SMILES | Cc1ccc2sccc2c1 |
| InChIKey | DOHZWDWNQFZIKH-UHFFFAOYSA-N |
| PubChem CID | 84346 |
| ChEMBL | CHEMBL235508 |
| EC No. | 238-256-2 |
| DTXSID | DTXSID3074523 |
| Lokaler Name | 5-Methylbenzo[b]thiophen |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Schmelzpunkt | 35-36 °C |
| Siedepunkt | 71-73°C 0,6mm |
| Dichte | 1,111 g/cm3 |
| Brechungsindex | 1.6150 (estimate) |
| Flammpunkt | 71-73°C/0.6mm |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Low Melting Mass |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| BRN | 109866 |
| CAS Datenbank | 14315-14-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzo[b]thiophene, 5-methyl-(14315-14-1) |
| EPA chemische Informationen | 5-Methylbenzo[b]thiophene (14315-14-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 36/37/39-26-22 |
Anwendungen & Verwendung
Verwenden
5-Methylbenzo[b]thiophene is useful in substituted thiophene for proteomics research.