HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12867136Erstellt: 27. Oktober 2026
2-Bromo-5-nitrophenol
Phenol, 2-bromo-5-nitro- · 2-Bromo-5-nitrophenol AldrichCPR
https://huagongshe.com/de/chemical/12867136
Identifikatoren & physikalische Daten
| CAS No. | 52427-05-1 |
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| Summenformel | C6H4BrNO3 |
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| Durchschnittliche Molmasse | 218 g/mol |
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| Monoisotopische Masse | 216,93745509 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(Br)c(O)c1 |
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| InChIKey | KNJNITQHVLIWBN-UHFFFAOYSA-N |
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| PubChem CID | 12867136 |
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| EC No. | 801-217-0 |
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| DTXSID | DTXSID10511894 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 66,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 158 |
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| Schmelzpunkt | 118-119 °C |
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| Siedepunkt | 279℃ |
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| Dichte | 1.881 |
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| Flammpunkt | 123℃ |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 6.65±0.19(Predicted) |
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| InChI | InChI=1S/C6H4BrNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H |
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| InChIKey | KNJNITQHVLIWBN-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC([N+]([O-])=O)=CC=C1Br |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Aquatic Acute 1 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3077 9 / PGIII |
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| Zollcode | 2907199090 |
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| R-Sätze (R) | 50 |
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| Gefahrensymbole | N |
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| Sicherheitshinweise (S) | 61 |
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| Gefahrenklasse | 9Aquatic Acute 1Aquatic Chronic 1 |
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| Lagerklasse | 11 - Combustible Solids |
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