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4-Amino-3,5-xylenol
4-AMINO-3,5-DIMETHYLPHENOL · 4-HYDROXY-2,6-DIMETHYLANILINE · NSC 38030 · WLN: ZR DQ B1 F1 · 4-amino-5-xylenol · 4-Amino-3-Xylenol · 4-Amino-3,5-xyleol · 4-AMINO-3,5-XYLENOL
Identifikatoren & physikalische Daten
| CAS No. | 3096-70-6 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | Cc1cc(O)cc(C)c1N |
| InChIKey | GCWYXRHXGLFVFE-UHFFFAOYSA-N |
| PubChem CID | 76543 |
| ChEBI | CHEBI:55545 |
| EC No. | 221-448-5 |
| DTXSID | DTXSID8040272 |
| Lokaler Name | 4-Amino-3,5-xylenol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 104 |
| Schmelzpunkt | 181 °C |
| Siedepunkt | 296.5±28.0 °C(Predicted) |
| Dichte | 1.118±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.47±0.23(Predicted) |
| Farbe | White to Gray to Brown |
| InChI | InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3 |
| InChIKey | GCWYXRHXGLFVFE-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(C)=C(N)C(C)=C1 |
| CAS Datenbank | 3096-70-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Aquatic Acute 1 (93%) |
| Acute Toxicity Link | Chemical: XYLENOL DIMETHYLAMINO |
| Zollcode | 2922290090 |
| RTECS-Nr. | ZE6740000 |
| R-Sätze (R) | 50 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
Anwendungen & Verwendung
Verwenden
A major Lidocaine metabolite.