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4-(4-Chlorphenoxy)anilin
4-(4-CHLOROPHENOXY)ANILINE · SALOR-INT L300845-1EA · Amoxapine Impurity 21 · 4-Chlorophenoxyaniline · p-(p-chlorophenoxy)-anilin · P-(P-CHLOROPHENOXY)ANILINE · 4-(p-Chlorophenoxy)aniline · 4-(4'-CHLOROPHENOXY)ANILINE
Identifikatoren & physikalische Daten
| CAS No. | 101-79-1 |
|---|---|
| Summenformel | C12H10ClNO |
| Durchschnittliche Molmasse | 219,66 g/mol |
| Monoisotopische Masse | 219,04509162 g/mol |
| SMILES | Nc1ccc(Oc2ccc(Cl)cc2)cc1 |
| InChIKey | YTISFYMPVILQRL-UHFFFAOYSA-N |
| PubChem CID | 7578 |
| ChEMBL | CHEMBL1521156 |
| EC No. | 202-976-5 |
| DTXSID | DTXSID1020275 |
| Lokaler Name | 4-(4-Chlorphenoxy)anilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 184 |
| Schmelzpunkt | 99-103 °C |
| Siedepunkt | 205 °C / 12mmHg |
| Dichte | 1.1764 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)Insoluble in water. |
| pKa (Säurekonstante) | 4.60±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| InChI | 1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2 |
| InChIKey | YTISFYMPVILQRL-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Oc2ccc(Cl)cc2)cc1 |
| CAS Datenbank | 101-79-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 4-(4-chlorophenoxy)- (101-79-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (94.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (94.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222990 |
| RTECS-Nr. | BX1770000 |
| R-Sätze (R) | 36/37/38-40-43-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used as an active pharmaceutical intermediate.