HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79291Erstellt: 26. Oktober 2026
3-Methyl-2-nitroanisol
1-METHOXY-3-METHYL-2-NITROBENZENE · TIMTEC-BB SBB008616 · 2-Nitro-m-metylanisole · 2-NITRO-3-METHYLANISOLE · 3-METHYL-2-NITROANISOLE · 3-METHOXY-2-NITROTOLUENE · 2-NITRO-3-METHOXYTOLUENE · Mefenamic Acid Impurity 20
https://huagongshe.com/de/chemical/79291
Identifikatoren & physikalische Daten
| CAS No. | 5345-42-6 |
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| Summenformel | C8H9NO3 |
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| Durchschnittliche Molmasse | 167,16 g/mol |
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| Monoisotopische Masse | 167,05824315 g/mol |
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| SMILES | COc1cccc(C)c1[N+](=O)[O-] |
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| InChIKey | MGBRGNWARSQECY-UHFFFAOYSA-N |
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| PubChem CID | 79291 |
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| EC No. | 226-295-8 |
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| DTXSID | DTXSID40201615 |
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| Lokaler Name | 3-Methyl-2-nitroanisol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 166 |
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| Schmelzpunkt | 48-50 °C (lit.) |
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| Siedepunkt | 170 °C / 35mmHg |
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| Dichte | 1.2917 (rough estimate) |
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| Brechungsindex | 1.5570 (estimate) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| BRN | 2329690 |
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| InChI | 1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3 |
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| InChIKey | MGBRGNWARSQECY-UHFFFAOYSA-N |
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| SMILES | COc1cccc(C)c1[N+]([O-])=O |
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| CAS Datenbank | 5345-42-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Irrit. 2A (86.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 |
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| Zollcode | 29093090 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 24/25-36-26-25-24 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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