HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736347Erstellt: 27. Oktober 2026
2-Ethoxy-4-nitrobenzoic acid
4-NITRO-2-ETHOXYBENZOIC ACID · 2-ETHOXY-4-NITROBENZOIC ACID · Benzoic acid, 2-ethoxy-4-nitro- · 2-Carboxy-5-nitrophenetole, 4-Carboxy-3-ethoxynitrobenzene
https://huagongshe.com/de/chemical/2736347
Identifikatoren & physikalische Daten
| CAS No. | 2486-66-0 |
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| Summenformel | C9H9NO5 |
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| Durchschnittliche Molmasse | 211,17 g/mol |
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| Monoisotopische Masse | 211,04807239 g/mol |
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| SMILES | CCOc1cc([N+](=O)[O-])ccc1C(=O)O |
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| InChIKey | BSIOETYGDXDWBR-UHFFFAOYSA-N |
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| PubChem CID | 2736347 |
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| EC No. | 681-777-9 |
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| DTXSID | DTXSID30371295 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 92,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 249 |
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| Schmelzpunkt | 148-151 °C(lit.) |
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| Siedepunkt | 395.9±27.0 °C(Predicted) |
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| Dichte | 1.368±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.24±0.13(Predicted) |
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| Aggregatzustand | crystalline solid |
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| Farbe | Light yellow |
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| InChI | 1S/C9H9NO5/c1-2-15-8-5-6(10(13)14)3-4-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
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| InChIKey | BSIOETYGDXDWBR-UHFFFAOYSA-N |
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| SMILES | CCOc1cc(ccc1C(O)=O)[N+]([O-])=O |
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| CAS Datenbank | 2486-66-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29163990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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