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5-Chlor-2-phenoxyanilin
2-AMINO-4-CHLOROPHENYL PHENYL ETHER · AKOS B034412 · C.I.37070(base) · Fast Red Base FG · Azoic DC 26(base) · TIMTEC-BB SBB003358 · Azoic Diazo Component 26 · 5-CHLORO-2-PHENOXYANILINE
Identifikatoren & physikalische Daten
| CAS No. | 93-67-4 |
|---|---|
| Summenformel | C12H10ClNO |
| Durchschnittliche Molmasse | 219,66 g/mol |
| Monoisotopische Masse | 219,04509162 g/mol |
| SMILES | Nc1cc(Cl)ccc1Oc1ccccc1 |
| InChIKey | SXEBHIMOUHBBOS-UHFFFAOYSA-N |
| PubChem CID | 66738 |
| ChEMBL | CHEMBL1240673 |
| EC No. | 202-266-5 |
| DTXSID | DTXSID70239224 |
| Lokaler Name | 5-Chlor-2-phenoxyanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 194 |
| Schmelzpunkt | 41-44 °C (lit.) |
| Siedepunkt | 192°C/12mmHg(lit.) |
| Dichte | 1.260±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 3.08±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Gray to Brown |
| InChI | 1S/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2 |
| InChIKey | SXEBHIMOUHBBOS-UHFFFAOYSA-N |
| SMILES | Nc1cc(Cl)ccc1Oc2ccccc2 |
| CAS Datenbank | 93-67-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.WarningH315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-05-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10207 |
| Hazard Classes and Categories | Skin Irrit. 2 (95.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Chloro-2-phenoxyphenylamine is a derivative of aniline and is a building block of various complex organic compounds.
Herstellung & Synthese
synthetische
2,5-Dichloronitrobenzene and sodium condensation of phenol and 1-Chloro-4-(2-nitrophenoxy)benzenereduction.