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HCID 97116Erstellt: 27. Oktober 2026
3,4,5-Trimethoxy-2-nitrobenzoesure
2-NITRO-3,4,5-TRIMETHOXYBENZOIC ACID · 3,4,5-TRIMETHOXY-2-NITROBENZOIC ACID · Benzoic acid, 3,4,5-trimethoxy-2-nitro-
https://huagongshe.com/de/chemical/97116
Identifikatoren & physikalische Daten
| CAS No. | 66907-52-6 |
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| Summenformel | C10H11NO7 |
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| Durchschnittliche Molmasse | 257,2 g/mol |
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| Monoisotopische Masse | 257,05355169 g/mol |
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| SMILES | COc1cc(C(=O)O)c([N+](=O)[O-])c(OC)c1OC |
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| InChIKey | VPVAFLFJAAPHKI-UHFFFAOYSA-N |
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| PubChem CID | 97116 |
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| ChEMBL | CHEMBL1490438 |
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| EC No. | 266-518-6 |
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| DTXSID | DTXSID60217056 |
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| Lokaler Name | 3,4,5-Trimethoxy-2-nitrobenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 111 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 316 |
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| Löslichkeit | >38.6 [ug/mL] (The mean of the results at pH 7.4) |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 166 °C |
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| Siedepunkt | 440.0±45.0 °C(Predicted) |
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| Dichte | 1.384±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 2.22±0.25(Predicted) |
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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 39 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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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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