1-(3-Bromophenyl)piperazine

HCID 2757154

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Grundinformationen

CAS: 31197-30-5
Standard-SMILES: Brc1cccc(N2CCNCC2)c1
InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N
Summenformel: C10H13BrN2
Durchschnittliche Molmasse: 241,13 g/mol
Monoisotopische Masse: 240,02621052

Namen und Bezeichner

Bevorzugter Name: 1-(3-Bromophenyl)piperazine
IUPAC: 1-(3-bromophenyl)piperazine
Englischer Name: 1-(3-Bromophenyl)piperazine
Summenformel: C10H13BrN2
Molmasse: 241.13

Namen und Synonyme

1-(3-Bromophenyl)piperazine31197-30-5DTXSID40953283RefChem:224229DTXCID7013813371-(3-bromophenyl)-piperazineMFCD034121231-(3-Bromo-phenyl)-piperazinePiperazine, 1-(3-bromophenyl)-N-3-BromophenylpiperazinePS8X2MU5NW1-(m-Bromophenyl)piperazine

Weitere Namen anzeigen

Trazodone Impurity 29(3''-BROMOPHENYL)PIPERAZINE1-(3-bromophenenyl)piperazineTrazodone impurity QZT-IM-3-Z21-(3-Bromophenyl)piperazine, 97%alpha-Chloro-2-chlorophenylacetic acid1-(3-Bromophenyl)piperazine - [B92977](3′-Bromophenyl)piperazine, CAS 31197-30-5

4-(3-bromophenyl)piperazineN-(3-bromophenyl)-piperazineSCHEMBL6894221-(3-bromo phenyl)piperazine1-(3-bromophenyl) piperazineSCHEMBL4750843SCHEMBL15475075Piperazine, 1-(m-bromophenyl)-

Datenbank-Bezeichner

CAS: 31197-30-5
PubChem CID: 2757154
DTXSID: DTXSID40953283
UNII: PS8X2MU5NW
EC Number: 673-029-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Siedepunkt: 121 · 121-123°C/0.5mm
Dichte: 1.386 · 1.386±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.92 · 8.92±0.10(Predicted)
Aggregatzustand: solid
InChI: 1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N
SMILES: Brc1cccc(c1)N2CCNCC2
CAS Datenbank: 31197 · 31197-30-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.