HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 94721Erstellt: 26. Oktober 2026
Acridine-9-carboxylic acid
9-CARBOXYACRIDINE · VITAS-BB TBB000341 · acridine-9-carboxylic · LABOTEST-BB LT00441228 · Acridine Carboxylicacid · Oxcarbazepine Impurity 21 · Oxcarbazepine Impurity 16 · 9-Acridinecarboxylic acid
https://huagongshe.com/de/chemical/94721
Identifikatoren & physikalische Daten
| CAS No. | 5336-90-3 |
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| Summenformel | C14H9NO2 |
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| Durchschnittliche Molmasse | 223,23 g/mol |
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| Monoisotopische Masse | 223,06332853 g/mol |
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| SMILES | O=C(O)c1c2ccccc2nc2ccccc12 |
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| InChIKey | IYRYQBAAHMBIFT-UHFFFAOYSA-N |
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| PubChem CID | 94721 |
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| ChEMBL | CHEMBL2159007 |
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| EC No. | 689-011-5 |
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| DTXSID | DTXSID90201524 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 50,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 283 |
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| Schmelzpunkt | 290 °C (dec.)(lit.) |
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| Siedepunkt | 480.4±18.0 °C(Predicted) |
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| Dichte | 1.366±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Aqueous Acid (Very Slightly, Sonicated), Aqueous Base (Slightly), DMSO (Slightly |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 0.72±0.30(Predicted) |
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| Farbe | Light Yellow to Yellow |
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| InChI | InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) |
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| InChIKey | IYRYQBAAHMBIFT-UHFFFAOYSA-N |
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| SMILES | C1C2C(=NC3C(C=2C(O)=O)=CC=CC=3)C=CC=1 |
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| CAS Datenbank | 5336-90-3(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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36-36/37/39 |
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