1-[4-(Trifluormethyl)phenyl]piperazin

1-(4-(Trifluoromethyl)phenyl)piperazine

HCID 121718CAS 30459-17-7

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(N2CCNCC2)cc1
InChIKey: IBQMAPSJLHRQPE-UHFFFAOYSA-N
Summenformel: C11H13F3N2
Durchschnittliche Molmasse: 230,23 g/mol
Monoisotopische Masse: 230,10308308

Namen und Bezeichner

Bevorzugter Name: 1-(4-(Trifluoromethyl)phenyl)piperazine
IUPAC: 1-[4-(trifluoromethyl)phenyl]piperazine
Lokaler Name: 1-[4-(Trifluormethyl)phenyl]piperazin
Englischer Name: 1-(4-TRIFLUOROMETHYLPHENYL)PIPERAZINE
Summenformel: C11H13F3N2
Molmasse: 230.23

Namen und Synonyme

30459-17-71-[4-(trifluoromethyl)phenyl]piperazine1-(4-(Trifluoromethyl)phenyl)piperazineEINECS 250-210-3DTXSID80184534RefChem:424559DTXCID20107025250-210-31-(4-Trifluoromethylphenyl)piperazinePiperazine, 1-[4-(trifluoromethyl)phenyl]-MFCD000407651-(4-trifluoromethylphenyl)-piperazine

Weitere Namen anzeigen

RARECHEM AH CK 0204trifluoromethylphenylpiperazine4-(1-Piperazinyl)benzotrifluoride1-(4-Trifluoromethylphenyl)-pipera1-(4-Trifluormethylphenyl)-piperazine1-(α,α,α-trifluoro-p-tolyl)piperazine1-(4-Trifluoromethyphenyl) piperazine

VG9TSZ5YPW1-(4-Trifluoromethyl-phenyl)-piperazinen-(4-trifluoromethylphenyl)piperazinen-(alpha,alpha,alpha-trifluoro-p-tolyl)piperazine[4-(trifluoromethyl)phenyl]piperazinepmoxifloUNII-VG9TSZ5YPW4-Piperazinobenzotrifluoride

Datenbank-Bezeichner

CAS: 30459-17-7
PubChem CID: 121718
DTXSID: DTXSID80184534
UNII: VG9TSZ5YPW
EC Number: 250-210-3
Nikkaji: J249.996G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-92 °C
Siedepunkt: 309.1 · 309.1±42.0 °C(Predicted)
Dichte: 1.203 · 1.203
storage temp.: RT, protect from light
Löslichkeit: soluble in Methanol
pka: 8.79 · 8.79±0.10(Predicted)
Aggregatzustand: Crystals
Farbe: Colorless to light yellow
BRN: 523408 · 523408
InChI: 1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKey: IBQMAPSJLHRQPE-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(cc1)N2CCNCC2
CAS Datenbank: 30459 · 30459-17-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.