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HCID 90329Erstellt: 27. Oktober 2026
6-Methoxy-2-methylbenzoxazol
6-methoxy-2-methylbenzoxazole · 6-Methoxy-2-methyl-benzooxazole · Benzoxazole, 6-methoxy-2-methyl- · 6-Methoxy-2-Methylbenzo[d]oxazole · 6-methoxy-2-methyl-1,3-benzoxazole
https://huagongshe.com/de/chemical/90329
Identifikatoren & physikalische Daten
| CAS No. | 23999-64-6 |
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| Summenformel | C9H9NO2 |
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| Durchschnittliche Molmasse | 163,17 g/mol |
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| Monoisotopische Masse | 163,06332853 g/mol |
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| SMILES | COc1ccc2nc(C)oc2c1 |
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| InChIKey | IMRVVUQHPUZLSC-UHFFFAOYSA-N |
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| PubChem CID | 90329 |
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| EC No. | 245-978-1 |
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| DTXSID | DTXSID30178726 |
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| Lokaler Name | 6-Methoxy-2-methylbenzoxazol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 35,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 163 |
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| Schmelzpunkt | 51.5-53 °C(Solv: ligroine (8032-32-4)) |
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| Siedepunkt | 250.0±13.0 °C(Predicted) |
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| Dichte | 1.166±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 1.06±0.30(Predicted) |
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| InChI | InChI=1S/C9H9NO2/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3 |
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| InChIKey | IMRVVUQHPUZLSC-UHFFFAOYSA-N |
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| SMILES | O1C2=CC(OC)=CC=C2N=C1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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