HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74656Erstellt: 3. November 2026
(3-Nitrophenoxy)essigsure
Nitrophenoxyaceticacid · 2-(3-nitrophenoxy)acetate · 3-NITROPHENOXYACETIC ACID · 2-(3-nitrophenoxy)aceticaci · 3-NitrophenoxyaceticAcid>2-(3-Nitrophenoxy)acetic acid · 3-NITROPHENOXYACETIC ACID 98+% · Acetic acid, 2-(3-nitrophenoxy)- · 3-Nitrophenoxyacetic acid, 98% 5GR
https://huagongshe.com/de/chemical/74656
Identifikatoren & physikalische Daten
| CAS No. | 1878-88-2 |
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| Summenformel | C8H7NO5 |
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| Durchschnittliche Molmasse | 197,14 g/mol |
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| Monoisotopische Masse | 197,03242232 g/mol |
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| SMILES | O=C(O)COc1cccc([N+](=O)[O-])c1 |
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| InChIKey | BNRRQAASFDGMMQ-UHFFFAOYSA-N |
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| PubChem CID | 74656 |
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| ChEMBL | CHEMBL3247409 |
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| EC No. | 217-528-4 |
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| DTXSID | DTXSID20172091 |
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| Lokaler Name | (3-Nitrophenoxy)essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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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 | 14 |
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| Formalladung | 0 |
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| Komplexität | 224 |
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| LogP (Verteilungskoeffizient) | 1.37 |
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| Schmelzpunkt | 156-161 °C |
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| Siedepunkt | 389.7±17.0 °C(Predicted) |
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| Dichte | 1.445±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at Room Tem. |
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| pKa (Säurekonstante) | pK1:2.951 (25°C) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| CAS Datenbank | 1878-88-2 |
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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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 29189990 |
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| R-Sätze (R) | 44-36/37/38-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 37/39-26 |
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