HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
o-(1-Piperazinyl)phenol
2-(1-Piperazinyl) phenol · 2-Piperazinophenol · RARECHEM AH CK 0117 · 2-(1-PIPERAZINO)PHENOL · LABOTEST-BB LT01596124 · 2-piperazin-1-ylphenol · o-(1-piperazinyl)phenol · 2-(1-PIPERAZINO)PHENOL 98%
Identifikatoren & physikalische Daten
| CAS No. | 1011-17-2 |
|---|---|
| Summenformel | C10H14N2O |
| Durchschnittliche Molmasse | 178,23 g/mol |
| Monoisotopische Masse | 178,11061307 g/mol |
| SMILES | Oc1ccccc1N1CCNCC1 |
| InChIKey | UORNTHBBLYBAJJ-UHFFFAOYSA-N |
| PubChem CID | 70530 |
| ChEMBL | CHEMBL266250 |
| EC No. | 213-782-5 |
| DTXSID | DTXSID90143733 |
| Lokaler Name | o-(1-Piperazinyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 125-129 °C |
| Siedepunkt | 328.2±27.0 °C(Predicted) |
| Dichte | 1.141 |
| pKa (Säurekonstante) | 11.25±0.35(Predicted) |
| Aggregatzustand | powder |
| Farbe | pale brown |
| BRN | 10646 |
| InChI | 1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 |
| InChIKey | UORNTHBBLYBAJJ-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1N2CCNCC2 |
| CAS Datenbank | 1011-17-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (88.6%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-(Piperazin-1-yl)phenol is used in preparation of substituted imidazoles and oxazoles in the treatment of cancers and other medical conditions.