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4-Amino-2,5-xylenol
Phenol, 4-amino-2,5-dimethyl- · 4-AMINO-2,5-XYLENOL · 4-Amino-2,5-xylenol >2,5-Dimethyl-4-aminophenol · 4-AMINO-2,5-DIMETHYLPHENOL · 4-azanyl-2,5-dimethyl-phenol · 4-Hydroxy-2,5-dimethylaniline · 2,5-dimethyl-4-hydroxy aniline · 4-Amino-2,5-dimethylphenol,95%
Identifikatoren & physikalische Daten
| CAS No. | 3096-71-7 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | Cc1cc(O)c(C)cc1N |
| InChIKey | JSWVCUXQICMATE-UHFFFAOYSA-N |
| PubChem CID | 76544 |
| EC No. | 221-449-0 |
| DTXSID | DTXSID30184948 |
| Lokaler Name | 4-Amino-2,5-xylenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| Schmelzpunkt | 242-243 °C (lit.) |
| Siedepunkt | 288.4±28.0 °C(Predicted) |
| Dichte | 1.118±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pK1: 5.28(+1)pK2: 10.40(0) (25°C) |
| Farbe | White to beige |
| Stabilität | Stable. Incompatible with acids, chloroformates, acid anhydrides, acid chlorides, strong oxidizing agents. |
| InChI | 1S/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3 |
| InChIKey | JSWVCUXQICMATE-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)c(C)cc1N |
| CAS Datenbank | 3096-71-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (42.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29222990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Amino-2,5-dimethylphenol may be used in chemical synthesis studies.