HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 222989Erstellt: 27. Oktober 2026
1,2-Dimethoxy-4,5-dinitrobenzene
186037 · NSC 46825 · NSC 10114 · NSC 93402 · AKOS 90698 · 4,5-Dinitroveratrol · 4,5-DINITRO VERATROLE · 1,2-Dimethyl-4,5-dinitrobenzene
https://huagongshe.com/de/chemical/222989
Identifikatoren & physikalische Daten
| CAS No. | 3395-03-7 |
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| Summenformel | C8H8N2O6 |
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| Durchschnittliche Molmasse | 228,16 g/mol |
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| Monoisotopische Masse | 228,03823598 g/mol |
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| SMILES | COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC |
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| InChIKey | WFDHPWTYKOAFBJ-UHFFFAOYSA-N |
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| PubChem CID | 222989 |
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| ChEMBL | CHEMBL1888766 |
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| EC No. | 678-722-6 |
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| DTXSID | DTXSID70278794 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 110 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 245 |
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| SpringerMaterials Properties | Surface tension |
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| Schmelzpunkt | 131-134°C |
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| Siedepunkt | 410.4±40.0 °C(Predicted) |
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| Dichte | 1.416±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Powder |
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| Farbe | Yellow |
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| BRN | 2055812 |
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| InChI | InChI=1S/C8H8N2O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3 |
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| InChIKey | WFDHPWTYKOAFBJ-UHFFFAOYSA-N |
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| SMILES | C1(OC)=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C1OC |
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| CAS Datenbank | 3395-03-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| UN-Transportnummer | 2811 |
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| Zollcode | 2909309090 |
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| R-Sätze (R) | 5-20/21/22 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 22-36/37/39 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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