HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11421Erstellt: 3. November 2026
1,2-Benzoquinone
1,2-BENZOQUINONE · o-Quinone · Cyclohexa-3,5-diene-1,2-dione · Chebi:17253 · 2-Benzopyrene · 2-benzoquinone · Norepinephrine Impurity 33 · Norepinephrine Impurity 33(2-benzoquinone)
https://huagongshe.com/de/chemical/11421
Identifikatoren & physikalische Daten
| CAS No. | 20526-43-6 |
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| Summenformel | C6H4O2 |
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| Durchschnittliche Molmasse | 108,09 g/mol |
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| Monoisotopische Masse | 108,02112937 g/mol |
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| SMILES | O=C1C=CC=CC1=O |
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| InChIKey | WOAHJDHKFWSLKE-UHFFFAOYSA-N |
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| PubChem CID | 11421 |
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| ChEBI | CHEBI:17253 |
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| EC No. | 812-469-6 |
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| DTXSID | DTXSID60894765 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 34,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 165 |
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| SpringerMaterials Properties | Electric dipole moment |
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| Physical Description | Solid |
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| Schmelzpunkt | 65°C (rough estimate) |
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| Siedepunkt | 162.69°C (rough estimate) |
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| Dichte | 1.1860 (rough estimate) |
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| Brechungsindex | 1.5017 (estimate) |
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| Aggregatzustand | Solid |
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| InChI | InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H |
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| InChIKey | WOAHJDHKFWSLKE-UHFFFAOYSA-N |
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| SMILES | C1(=O)C=CC=CC1=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 1 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. 3 (100%) |
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| Toxizität | mmo-sat 100 ng/plate BECTA6 24,590,80 |
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