HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 720669Erstellt: 26. Oktober 2026
5-Aminophthalid
Roxadustat-002 · Einecs 265-731-1 · 5-Aminophthliade · 5-AMINOPHTHALIDE · Aminophthalide,5- · TIMTEC-BB SBB007358 · 5-Aminophthalide ,98% · Roxadustat Impurity 91
https://huagongshe.com/de/chemical/720669
Identifikatoren & physikalische Daten
| CAS No. | 65399-05-5 |
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| Summenformel | C8H7NO2 |
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| Durchschnittliche Molmasse | 149,15 g/mol |
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| Monoisotopische Masse | 149,04767847 g/mol |
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| SMILES | Nc1ccc2c(c1)COC2=O |
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| InChIKey | ISMUWQMUWFPFBZ-UHFFFAOYSA-N |
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| PubChem CID | 720669 |
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| ChEMBL | CHEMBL1493900 |
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| EC No. | 265-731-1 |
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| DTXSID | DTXSID90215707 |
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| Lokaler Name | 5-Aminophthalid |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| Löslichkeit | 22.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 178 °C |
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| Siedepunkt | 438.6±45.0 °C(Predicted) |
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| Dichte | 1.376±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 2.10±0.20(Predicted) |
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| InChI | InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2 |
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| InChIKey | ISMUWQMUWFPFBZ-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=C(N)C=C2)CO1 |
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| CAS Datenbank | 65399-05-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 3 (33.3%)Aquatic Chronic 3 (33.3%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2932990090 |
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| R-Sätze (R) | 22-52 |
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| Gefahrensymbole | Xi,Xn |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 OralAquatic Chronic 3 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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