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p-(1-Piperazinyl)phenol
4-PIPERAZINOPHENOL · RARECHEM AH CK 0119 · SALOR-INT L497754-1EA · LABOTEST-BB LT00233198 · 4-(1-PIPERAZINO)PHENOL · 4-(1-PIPERAZINYL)PHENOL · 4-PIPERAZIN-1-YL-PHENOL · p-(1-piperazinyl)phenol
Identifikatoren & physikalische Daten
| CAS No. | 56621-48-8 |
|---|---|
| Summenformel | C10H14N2O |
| Durchschnittliche Molmasse | 178,23 g/mol |
| Monoisotopische Masse | 178,11061307 g/mol |
| SMILES | Oc1ccc(N2CCNCC2)cc1 |
| InChIKey | GPEOAEVZTOQXLG-UHFFFAOYSA-N |
| PubChem CID | 92467 |
| EC No. | 260-289-6 |
| DTXSID | DTXSID80205197 |
| Lokaler Name | p-(1-Piperazinyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 149 |
| Schmelzpunkt | 220 °C |
| Siedepunkt | 371.3±27.0 °C(Predicted) |
| Dichte | 1.141±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 12.18±0.30(Predicted) |
| Farbe | Brownish |
| BRN | 150964 |
| InChI | InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 |
| InChIKey | GPEOAEVZTOQXLG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(N2CCNCC2)C=C1 |
| LogP (Verteilungskoeffizient) | 0.374 |
| CAS Datenbank | 56621-48-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.DangerH314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21519 |
| Hazard Classes and Categories | Skin Corr. 1B (10.4%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3263 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(4-Hydroxyphenyl)piperazine can be used as an intermediate for ketoconazole.