HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 335281Erstellt: 26. Oktober 2026
5-Carboxy-2,1,3-benzoxadiazol-1-ium-1-olate
AKOS BB-7018 · BUTTPARK 88\04-07 · 5-CARBOXYBENZOFURAZAN-1-OXIDE · Benzofuroxan-5-carboxylic acid · 5-CARBOXY-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE · 2,1,3-Benzoxadiazole-5-carboxylic acid N-oxide · 1-OXY-BENZO(1,2,5)OXADIAZOLE-5-CARBOXYLIC ACID · 2,1,3-Benzoxadiazole-5-carboxylic acid, 1-oxide
https://huagongshe.com/de/chemical/335281
Identifikatoren & physikalische Daten
| CAS No. | 6086-24-4 |
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| Summenformel | C7H4N2O4 |
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| Durchschnittliche Molmasse | 180,12 g/mol |
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| Monoisotopische Masse | 180,01710661 g/mol |
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| SMILES | O=C(O)c1ccc2c(c1)no[n+]2[O-] |
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| InChIKey | AXRCJZJVVZUOHN-UHFFFAOYSA-N |
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| PubChem CID | 335281 |
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| ChEMBL | CHEMBL2270111 |
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| EC No. | 676-653-6 |
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| DTXSID | DTXSID90319330 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 88,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 223 |
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| Schmelzpunkt | 125-131°C |
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| Siedepunkt | 420.1±37.0 °C(Predicted) |
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| Dichte | 1.76±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.97±0.30(Predicted) |
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| BRN | 612513 |
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| CAS Datenbank | 6086-24-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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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| Zollcode | 2934999090 |
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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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