HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylbenzofuran
Benzofuran, 3-Methyl- · 3-METHYLBENZOFURAN · RARECHEM AM LA 0012 · 3-Methylbenzofurane · 3-METHYL-1-BENZOFURAN · 3-METHYLBENZO[B]FURAN · 3-Methylbenzofuran>3-Methylbenzofuran 97% · 3-Methylbenzofuran,98%
Identifikatoren & physikalische Daten
| CAS No. | 21535-97-7 |
|---|---|
| Summenformel | C9H8O |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,05751488 g/mol |
| SMILES | Cc1coc2ccccc12 |
| InChIKey | ZRXHLJNBNWVNIM-UHFFFAOYSA-N |
| PubChem CID | 88939 |
| EC No. | 244-427-2 |
| DTXSID | DTXSID30175871 |
| Lokaler Name | 3-Methylbenzofuran |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 13,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 195-197 °C/760 mmHg |
| Dichte | 1.046 g/mL at 25 °C |
| Brechungsindex | 1.5535-1.5555 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| InChI | 1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3 |
| InChIKey | ZRXHLJNBNWVNIM-UHFFFAOYSA-N |
| SMILES | Cc1coc2ccccc12 |
| CAS Datenbank | 21535-97-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzofuran, 3-methyl-(21535-97-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29329990 |
| R-Sätze (R) | 10-41-22 |
| Gefahrensymbole | T,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 24/25-39-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
3-Methylbenzofuran is used in enantioselective preparation of Benzoheterocycles via Iridium-catalyzed Hydrogenation of Indole and Benzofuran derivatives.