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HCID 21134Erstellt: 26. Oktober 2026
5-Nitrobenzol-1,3-diamin
5-NITROBENZENE-1,3-DIAMINE · AKOS BC-0085 · 3,5-DIAMINONITROBENZENE · 5-nitro-3-benzenediamine · 5-nitro-m-phenylenediamin · 5-NITRO-M-PHENYLENEDIAMINE · 5-nitro-1,3-benzenediamine · 1-Nitro-3,5-diaminobenzene
https://huagongshe.com/de/chemical/21134
Identifikatoren & physikalische Daten
| CAS No. | 5042-55-7 |
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| Summenformel | C6H7N3O2 |
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| Durchschnittliche Molmasse | 153,14 g/mol |
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| Monoisotopische Masse | 153,05382646 g/mol |
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| SMILES | Nc1cc(N)cc([N+](=O)[O-])c1 |
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| InChIKey | DFWXYHZQNLIBLY-UHFFFAOYSA-N |
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| PubChem CID | 21134 |
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| EC No. | 225-737-7 |
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| DTXSID | DTXSID7063687 |
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| Lokaler Name | 5-Nitrobenzol-1,3-diamin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 97,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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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 | 146 |
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| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
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| Schmelzpunkt | 159 °C |
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| Siedepunkt | 427.0±25.0 °C(Predicted) |
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| Dichte | 1.446±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 3.03±0.10(Predicted) |
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| EPA chemische Informationen | 1,3-Benzenediamine, 5-nitro- (5042-55-7) |
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Sicherheit & Vorschriften
| Gefahrenübersicht | Emergency treatment: Methemoglobinemia[HSDB] |
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| Special Reports | EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)] |
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| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
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| Human Toxicity Excerpts | POTENTIAL METHEMOGLOBIN FORMER. |
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| TSCA-Inventar-Status | TSCA listed |
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| Gefahrenklasse | IRRITANT |
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| Gefahrstoffdaten | 5042-55-7(Hazardous Substances Data) |
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