HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 700608Erstellt: 24. Oktober 2026
4-Methoxy-3-nitrobenzaldehyde
3-Nitro-4-Methoxy-Benzaldehyde · AURORA 2012 · ASISCHEM R40024 · AKOS BBS-00004797 · 3-NITROANISALDEHYDE · TIMTEC-BB SBB002341 · 3-NITRO-4-ANISALDEHYDE · 3-Nitro-p-anisaldehyde
https://huagongshe.com/de/chemical/700608
Identifikatoren & physikalische Daten
| CAS No. | 31680-08-7 |
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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 | COc1ccc(C=O)cc1[N+](=O)[O-] |
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| InChIKey | YTCRQCGRYCKYNO-UHFFFAOYSA-N |
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| PubChem CID | 700608 |
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| EC No. | 678-312-7 |
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| DTXSID | DTXSID50351453 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 201 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 97-100 °C(lit.) |
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| Siedepunkt | 334.8±27.0 °C(Predicted) |
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| Dichte | 1.322±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | powder to crystal |
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| Farbe | Light orange to Yellow to Green |
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| InChI | InChI=1S/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3 |
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| InChIKey | YTCRQCGRYCKYNO-UHFFFAOYSA-N |
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| SMILES | C(=O)C1=CC=C(OC)C([N+]([O-])=O)=C1 |
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| CAS Datenbank | 31680-08-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 38220090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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