2-Phenylpiperazine

HCID 250673CAS 5271-26-1

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Grundinformationen

Standard-SMILES: c1ccc(C2CNCCN2)cc1
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
Summenformel: C10H14N2
Durchschnittliche Molmasse: 162,23 g/mol
Monoisotopische Masse: 162,11569845

Namen und Bezeichner

Bevorzugter Name: 2-Phenylpiperazine
IUPAC: 2-phenylpiperazine
Englischer Name: 2-Phenylpiperazine
Summenformel: C10H14N2
Molmasse: 162.23

Namen und Synonyme

2-PhenylpiperazineDTXSID60290682RefChem:478207DTXCID30241828627-379-0691-359-85271-26-12-phenyl-piperazineMFCD01871362PIPERAZINE, 2-PHENYL-3-PhenylpiperazineNSC70392

Weitere Namen anzeigen

2-Phenylpiperizinem-phenylpiperazine2-Phenylpiperazine 97%2-Phenylpiperazine ISO 9001：2015 REACH

(RS)-2-phenylpiperazine2-Phenylpiperazine, 96%(2R)-2-Phenyl-piperazine(2S)-2-Phenyl-piperazineNCIOpen2_000459(+,-)-2-phenyl-piperazine(+/-)-3-phenyl piperazineSCHEMBL451612

Datenbank-Bezeichner

CAS: 5271-26-1
PubChem CID: 250673
DTXSID: DTXSID60290682
EC Number: 627-379-0
Nikkaji: J1.957.938G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-87 °C (lit.)
Siedepunkt: 138 °C · 138 °C
Dichte: 0.997 · 0.997±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.8 · 8.80±0.40(Predicted)
Aggregatzustand: solid
Farbe: Yellow
InChI: 1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2
InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N
SMILES: C1CNC(CN1)c2ccccc2
CAS Datenbank: 5271 · 5271-26-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Sicherheitsdaten

wgk: 2
ridadr: UN3259
hs_code: 29335990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Phenylpiperazine is the starting material for the synthesis of 2-phenylpiperazine compounds. It has been synthesized 1,4-dimethyl-2-phenylpiperazine, 1,4-diethyl-2-phenyl Piperazine etc.