HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11890Erstellt: 27. Oktober 2026
2-Nitrophenylacetat
-Nitrophenylacetate · 2-Nitrophenol acetate · O-NITROPHENYL ACETATE · 2-NITROPHENYL ACETATE · (2-nitrophenyl) ethanoate · aceticacid,2-nitrophenylester · Acetic acid, o-nitrophenyl ester · Acetic acid, 2-nitrophenyl ester
https://huagongshe.com/de/chemical/11890
Identifikatoren & physikalische Daten
| CAS No. | 610-69-5 |
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| Summenformel | C8H7NO4 |
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| Durchschnittliche Molmasse | 181,15 g/mol |
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| Monoisotopische Masse | 181,0375077 g/mol |
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| SMILES | CC(=O)Oc1ccccc1[N+](=O)[O-] |
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| InChIKey | MRCKRGSNLOHYRA-UHFFFAOYSA-N |
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| PubChem CID | 11890 |
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| ChEMBL | CHEMBL460363 |
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| EC No. | 210-233-1 |
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| DTXSID | DTXSID7060590 |
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| Lokaler Name | 2-Nitrophenylacetat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 72,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 211 |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 1.55 |
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| Schmelzpunkt | 39-41 °C(lit.) |
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| Siedepunkt | 141 °C/11 mmHg(lit.) |
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| Dichte | 1.4283 (rough estimate) |
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| Dampfdruck | 0.889Pa at 20℃ |
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| Brechungsindex | 1.5468 (estimate) |
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| Flammpunkt | 113 °C |
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| Lagerbedingungen | Store at Room Tem. |
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| Aggregatzustand | Crystalline |
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| LogP (Verteilungskoeffizient) | 1.27 at 25℃ and pH6.93 |
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| EPA chemische Informationen | Acetic acid, 2-nitrophenyl ester (610-69-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 12-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17212Acetic acid, 2-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Sens. 1 (97.6%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2915390090 |
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