HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6764Erstellt: 4. November 2026
Phanchinon
phanquinone · C-11925 · entobex · enthohex · Entronon · phanquone · Ciba 11925 · phanquone USP/EP/BP
https://huagongshe.com/de/chemical/6764
Identifikatoren & physikalische Daten
| CAS No. | 84-12-8 |
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| Summenformel | C12H6N2O2 |
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| Durchschnittliche Molmasse | 210,19 g/mol |
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| Monoisotopische Masse | 210,04292744 g/mol |
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| SMILES | O=C1C(=O)c2ncccc2-c2cccnc21 |
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| InChIKey | VLPADTBFADIFKG-UHFFFAOYSA-N |
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| PubChem CID | 6764 |
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| ChEMBL | CHEMBL531048 |
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| ChEBI | CHEBI:59141 |
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| EC No. | 201-516-0 |
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| DTXSID | DTXSID3046112 |
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| Lokaler Name | Phanchinon |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 59,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 297 |
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| Schmelzpunkt | 295° (dec) |
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| Siedepunkt | 349.71°C (rough estimate) |
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| Dichte | 1.2785 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | -0.30±0.20(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Crystals from methanol |
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| InChI | InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H |
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| InChIKey | VLPADTBFADIFKG-UHFFFAOYSA-N |
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| SMILES | C1C2=C(C(=O)C(=O)C3=C2C=CC=N3)N=CC=1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Toxizität | LD50 orl-rat: 5 mg/kg ANTCAO 8,297,58 orl-mus LD50:4 mg/kg ANTCAO 8,297,58 |
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