HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 83783Erstellt: 27. Oktober 2026
Phenol, 4-amino-, 1-acetate
2-(4-AMINOPHENYL)ACETIC ACID · 4-Aminophenyl acetate · 4-Acetoxyaniline · H-4-APH-OH · H-APH(4)-OH · AKOS BBS-00006880 · RARECHEM AL BO 0220 · Paracetamol Impurity 86
https://huagongshe.com/de/chemical/83783
Identifikatoren & physikalische Daten
| CAS No. | 13871-68-6 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | CC(=O)Oc1ccc(N)cc1 |
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| InChIKey | QVJWBJWRAPJXNM-UHFFFAOYSA-N |
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| PubChem CID | 83783 |
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| ChEMBL | CHEMBL40426 |
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| EC No. | 850-913-0 |
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| DTXSID | DTXSID8065668 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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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 | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | 0.45 |
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| Schmelzpunkt | 201 °C (dec.)(lit.) |
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| Siedepunkt | 173-174 °C(Press: 14 Torr) |
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| Dichte | 1.168±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 4.05±0.10(Predicted) |
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| CAS Datenbank | 13871-68-6(CAS DataBase Reference) |
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| EPA chemische Informationen | Phenol, 4-amino-, acetate (ester) (13871-68-6) |
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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)Aggregated GHS information provided per 2 reports by companies from 2 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. 4 (100%) |
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| F | 13 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| RTECS-Nr. | AF3550000 |
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| Sicherheitshinweise (S) | 22-24/25 |
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