HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10104599Erstellt: 27. Oktober 2026
5-Bromo-2-methyl-1,3-benzoxazole
5-BROMO-2-METHYL-BENZOOXAZOLE · 5-bromo-2-methyl-1,3-benzoxazole · 2-Methyl-5-bromobenzoxazole · 5-BroMo-2-Methylbenzoxazole · 5-Bromo-2-methylbenzodoxazole · Benzoxazole, 5-bromo-2-methyl- · 5-bromo-2-methyl-1,3-benzoxazole(SALTDATA: FREE)
https://huagongshe.com/de/chemical/10104599
Identifikatoren & physikalische Daten
| CAS No. | 5676-56-2 |
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| Summenformel | C8H6BrNO |
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| Durchschnittliche Molmasse | 212,04 g/mol |
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| Monoisotopische Masse | 210,96327591 g/mol |
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| SMILES | Cc1nc2cc(Br)ccc2o1 |
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| InChIKey | ZBCCSPFGJDVVJB-UHFFFAOYSA-N |
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| PubChem CID | 10104599 |
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| EC No. | 804-257-7 |
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| DTXSID | DTXSID70435663 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Schmelzpunkt | 66-68° |
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| Siedepunkt | 264.8±13.0 °C(Predicted) |
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| Dichte | 1.606±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -0.45±0.10(Predicted) |
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| InChI | 1S/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 |
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| InChIKey | ZBCCSPFGJDVVJB-UHFFFAOYSA-N |
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| SMILES | Cc1nc2cc(Br)ccc2o1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 22-37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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