HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Pyridyl)piperazin
BUTTPARK 82\08-09 · Pyridyl)piperazin · RARECHEM AH CK 0194 · 4-pyridyl piperazine · 4-PIPERAZINOPYRIDINE · LABOTEST-BB LT00233138 · 1-(4-PYRIDYL)PIPERAZINE · 4-(1-Piperazino)pyridine
Identifikatoren & physikalische Daten
| CAS No. | 1008-91-9 |
|---|---|
| Summenformel | C9H13N3 |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,11094742 g/mol |
| SMILES | c1cc(N2CCNCC2)ccn1 |
| InChIKey | OQZBAQXTXNIPRA-UHFFFAOYSA-N |
| PubChem CID | 70517 |
| ChEMBL | CHEMBL339069 |
| EC No. | 213-764-7 |
| DTXSID | DTXSID80143520 |
| Lokaler Name | 1-(4-Pyridyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 137-141 °C |
| Siedepunkt | 195-200°C 0,3mm |
| Dichte | 1.081±0.06 g/cm3(Predicted) |
| Flammpunkt | 195-200°C/0.3mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | soluble in MethanolSoluble in water. |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.73±0.10(Predicted) |
| Farbe | White to Light yellow |
| BRN | 609705 |
| Stabilität | Air Sensitive |
| InChI | 1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2 |
| InChIKey | OQZBAQXTXNIPRA-UHFFFAOYSA-N |
| SMILES | C1CN(CCN1)c2ccncc2 |
| CAS Datenbank | 1008-91-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3259 8/PG 2 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-36-37/38/39 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(4-Pyridyl)piperazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is also used to produce 1-pyridin-4-yl-4-(4-vinyl-benzyl)-piperazine with 1-(chloromethyl)-4-vinylbenzene by heating.