HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 87184Erstellt: 27. Oktober 2026
4-Amino-3-chlorphenol
4-amino-3-chloro-pheno · 3-chloro-4-aminophenol · lenvaint-G · Brn 2802558 · synthesis-023 · synthesis-1-013 · Einecs 241-583-3 · Levatinib Impurity 55
https://huagongshe.com/de/chemical/87184
Identifikatoren & physikalische Daten
| CAS No. | 17609-80-2 |
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| Summenformel | C6H6ClNO |
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| Durchschnittliche Molmasse | 143,57 g/mol |
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| Monoisotopische Masse | 143,01379149 g/mol |
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| SMILES | Nc1ccc(O)cc1Cl |
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| InChIKey | PNLPXABQLXSICH-UHFFFAOYSA-N |
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| PubChem CID | 87184 |
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| EC No. | 241-583-3 |
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| DTXSID | DTXSID30170083 |
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| Lokaler Name | 4-Amino-3-chlorphenol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 46,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 99,1 |
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| Schmelzpunkt | 159-160℃ |
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| Siedepunkt | 287.3±25.0 °C(Predicted) |
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| Dichte | 1.406±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 9.26±0.18(Predicted) |
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| Farbe | White |
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| Stabilität | Hygroscopic |
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| InChI | InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2 |
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| InChIKey | PNLPXABQLXSICH-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC=C(N)C(Cl)=C1 |
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| CAS Datenbank | 17609-80-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 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 (20%) |
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| Zollcode | 2922290090 |
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| Gefahrenklasse | 6.1 |
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