HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 157302Erstellt: 27. Oktober 2026
3,4-Dinitrobenzylalkohol
ZINC06091872 · EINECS 279-178-9 · 3,4-Dinitrobenzyl alcohol · 3,4-Dinitrobenzenemethanol · (3,4-Dinitrophenyl)methanol · benzenemethanol, 3,4-dinitro-
https://huagongshe.com/de/chemical/157302
Identifikatoren & physikalische Daten
| CAS No. | 79544-31-3 |
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| Summenformel | C7H6N2O5 |
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| Durchschnittliche Molmasse | 198,13 g/mol |
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| Monoisotopische Masse | 198,02767129 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(CO)cc1[N+](=O)[O-] |
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| InChIKey | GALBVKDHQBDIJR-UHFFFAOYSA-N |
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| PubChem CID | 157302 |
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| EC No. | 279-178-9 |
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| DTXSID | DTXSID90229763 |
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| Lokaler Name | 3,4-Dinitrobenzylalkohol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 112 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 233 |
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| Siedepunkt | 433.1±30.0 °C(Predicted) |
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| Dichte | 1.560±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 13.26±0.10(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Yellow |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 2 reports by companies from 1 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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| Zollcode | 2933998090 |
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| Gefahrenklasse | IRRITANT |
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