HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 81374Erstellt: 27. Oktober 2026
3-Hydroxy-4-methyl-2-nitrobenzoesure
Einecs 230-105-9 · 3-HYDROXY-4-METHYL-2-NITROBENZOIC ACID · 2-NITRO-3-HYDROXY-4-METHYL-BENZOIC ACID · copper 2,3,4,5,6,7-hexahydroxyheptanoate · Benzoic acid, 3-hydroxy-4-methyl-2-nitro-
https://huagongshe.com/de/chemical/81374
Identifikatoren & physikalische Daten
| CAS No. | 6946-15-2 |
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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 | Cc1ccc(C(=O)O)c([N+](=O)[O-])c1O |
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| InChIKey | HEKGHQKEERXLOI-UHFFFAOYSA-N |
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| PubChem CID | 81374 |
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| EC No. | 230-105-9 |
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| DTXSID | DTXSID70219622 |
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| Lokaler Name | 3-Hydroxy-4-methyl-2-nitrobenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 103 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 249 |
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| Schmelzpunkt | 185-187 °C (lit.) |
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| Siedepunkt | 379.7±42.0 °C(Predicted) |
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| Dichte | 1.534±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 2.24±0.25(Predicted) |
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| InChI | 1S/C8H7NO5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12) |
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| InChIKey | HEKGHQKEERXLOI-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C(O)=O)c(c1O)[N+]([O-])=O |
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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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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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