HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Fluorphenyl)piperazin
1-(o-Fluorophenyl)piperazine · AKOS BBS-00003615 · 4-(95-Butyl)phenol · RARECHEM AH CK 0103 · LABOTEST-BB LT00159366 · 1-(2-FLUOROPHENYL)PIPERAZINE · 1-(2-Fluorphenyl)-piperazine · 4-(2-Fluorophenyl)piperazine
Identifikatoren & physikalische Daten
| CAS No. | 1011-15-0 |
|---|---|
| Summenformel | C10H13FN2 |
| Durchschnittliche Molmasse | 180,22 g/mol |
| Monoisotopische Masse | 180,10627664 g/mol |
| SMILES | Fc1ccccc1N1CCNCC1 |
| InChIKey | IVTZRJKKXSKXKO-UHFFFAOYSA-N |
| PubChem CID | 70529 |
| ChEMBL | CHEMBL9429 |
| EC No. | 213-780-4 |
| DTXSID | DTXSID30143732 |
| Lokaler Name | 1-(2-Fluorphenyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 157 |
| Arzneimittel | DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| Schmelzpunkt | 44-48℃ |
| Siedepunkt | 150 °C/3 mmHg (lit.) |
| Dichte | 1.141 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.556(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
| Farbe | Clear colorless to light yellow |
| BRN | 611787 |
| InChI | 1S/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2 |
| InChIKey | IVTZRJKKXSKXKO-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1N2CCNCC2 |
| CAS Datenbank | 1011-15-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (10.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2923 |
| Zollcode | 29349990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-(2-Fluorophenyl)piperazine (cas# 1011-15-0) is a compound useful in organic synthesis.