p-(1-Piperazinyl)phenol

HCID 92467CAS 56621-48-8

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Grundinformationen

Standard-SMILES: Oc1ccc(N2CCNCC2)cc1
InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
Summenformel: C10H14N2O
Durchschnittliche Molmasse: 178,23 g/mol
Monoisotopische Masse: 178,11061307

Namen und Bezeichner

Bevorzugter Name: p-(1-Piperazinyl)phenol
IUPAC: 4-piperazin-1-ylphenol
Lokaler Name: p-(1-Piperazinyl)phenol
Englischer Name: 1-(4-Hydroxyphenyl)piperazine
Summenformel: C10H14N2O
Molmasse: 178.23

Namen und Synonyme

1-(4-Hydroxyphenyl)piperazine56621-48-8p-(1-Piperazinyl)phenolEINECS 260-289-6DTXSID80205197RefChem:857911DTXCID80127688260-289-64-(piperazin-1-yl)phenol4-(1-Piperazinyl)phenol4-piperazin-1-ylphenolN-(4-hydroxyphenyl)piperazine

Weitere Namen anzeigen

RARECHEM AH CK 0119SALOR-INT L497754-1EALABOTEST-BB LT002331984-PIPERAZIN-1-YL-PHENOLKetoconazole Impurity 324-(1-Piperazino)phenol,98%

4-PiperazinophenolMFCD00066156Phenol, 4-(1-piperazinyl)-1-(4-Hydroxyphenyl)-piperazine4-piperazinylphenolEN300-172304-(1-piperazino)phenol4-Piperazinyl phenol

Datenbank-Bezeichner

CAS: 56621-48-8
PubChem CID: 92467
DTXSID: DTXSID80205197
UNII: A2SA24RA7S
EC Number: 260-289-6
Nikkaji: J267.059C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 220 °C · 220 °C
Siedepunkt: 371.3 · 371.3±27.0 °C(Predicted)
Dichte: 1.141 · 1.141±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
pka: 12.18 · 12.18±0.30(Predicted)
Farbe: Brownish
BRN: 150964 · 150964
InChI: InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N2CCNCC2)C=C1
LogP: 0.374 · 0.374
CAS Datenbank: 56621 · 56621-48-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.

Danger

H314 (10.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.