1-(4-Bromophenyl)piperazine hydrochloride

HCID 14422838

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Grundinformationen

CAS: 68104-62-1
Standard-SMILES: Brc1ccc(N2CCNCC2)cc1.Cl
InChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-N
Summenformel: C10H14BrClN2
Durchschnittliche Molmasse: 277,59 g/mol
Monoisotopische Masse: 276,00288823

Namen und Bezeichner

Bevorzugter Name: 1-(4-Bromophenyl)piperazine hydrochloride
IUPAC: 1-(4-bromophenyl)piperazine;hydrochloride
Englischer Name: 1-(4-Bromophenyl)piperazine hydrochloride
Summenformel: C10H14BrClN2
Molmasse: 277.59

Namen und Synonyme

1-(4-Bromophenyl)piperazine hydrochloride68104-62-14-Bpp hydrochlorideSV3HBJ3FXGPiperazine, 1-(4-bromophenyl)-, monohydrochloridePiperazine, 1-(4-bromophenyl)-, hydrochloride (1:1)RefChem:425080671-049-91-(4-bromophenyl)piperazine hclMFCD006741341-(4-bromophenyl)piperazine;hydrochloride1-(4-bromophenyl)-piperazine hcl

Weitere Namen anzeigen

RARECHEM AH CK 00501-(4-Bromophenyl)piperazin HCl1-(4-Bromophenyl)-piperazine x HCl1-(4-Bromophenyl)piperazineHydrochloride>1-(4-Bromophenyl)piperazine hydrochloride 98%1-(4-BROMOPHENYL)PIPERAZINE HYDROCHLORIDE ISO 9001：2015 REACH

UNII-SV3HBJ3FXG1-(4-Bromophenyl)piperazine (hydrochloride)SCHEMBL1200034DTXSID20560116YDVSFRZKQMQPJD-UHFFFAOYSA-N4-bromophenylpiperazine hydrochlorideAKOS015919989AC-3015

Datenbank-Bezeichner

CAS: 68104-62-1
PubChem CID: 14422838
DTXSID: DTXSID20560116
UNII: SV3HBJ3FXG
EC Number: 671-049-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 280 °C · >280°C (dec.)
storage temp.: Inert atmosphere,Room Temperature
Wasserlöslichkeit: Soluble in water
Löslichkeit: 10 mg/ml; · DMSO: 10 mg/ml; PBS (pH 7.2): 10 mg/ml
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-N
SMILES: C1(C=CC(Br)=CC=1)N1CCNCC1.Cl
CAS Datenbank: 68104 · 68104-62-1(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, P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2933.59.8000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung1-(4-Bromophenyl)piperazine hydrochloride is an important organic synthetic intermediate, playing a crucial role, especially in medicinal chemistry. It is not typically used as a final product, but rather introduced as a structural unit (i.e., a "building block") into more complex molecules to construct drug molecules with specific biological activities. The "p-bromophenyl" and "piperazine ring" contained in its structure are common pharmacophores in many central nervous system drugs, such as antipsychotics and antidepressants.