1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine

HCID 667618CAS 132834-58-3

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(N2CCNCC2)nc1
InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N
Summenformel: C10H12F3N3
Durchschnittliche Molmasse: 231,22 g/mol
Monoisotopische Masse: 231,09833204

Namen und Bezeichner

Bevorzugter Name: 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
IUPAC: 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
Englischer Name: 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
Summenformel: C10H12F3N3
Molmasse: 231.22

Namen und Synonyme

1-(5-Trifluoromethyl-pyridin-2-yl)-piperazineRefChem:426618670-979-2132834-58-31-[5-(trifluoromethyl)pyridin-2-yl]piperazine1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine1-[5-(trifluoromethyl)pyrid-2-yl]piperazineMFCD001147081-[5-(trifluoromethyl)-2-pyridinyl]piperazine1-(5-trifluoromethyl-2-pyridinyl)-piperazinepiperazine, 1-[5-(trifluoromethyl)-2-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridyl]piperazine

Weitere Namen anzeigen

BUTTPARK 27\08-98AKOS BBS-000015721-(5-Trifluoromethyl-pyridin-2-yl)-p1-[5-(Trifluoromethyl)pyrid-2-yl]piperazine ,97%1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine97%

1-[5-(trifluoromethyl)pyridine-2-yl]piperazine[5-(trifluoromethyl)-2-pyridyl]piperazineMaybridge3_0064571-(5-trifluoromethylpyridin-2-yl)piperazineSCHEMBL231823SCHEMBL886818CHEMBL5647390SCHEMBL30101389

Datenbank-Bezeichner

CAS: 132834-58-3
PubChem CID: 667618
DTXSID: DTXSID00349865
ChEMBL: CHEMBL5647390
EC Number: 670-979-2
Nikkaji: J2.293.724C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 226

Physikochemische Eigenschaften

Schmelzpunkt: 43 · 43-46°C
Siedepunkt: 122 °C · 122 °C (2 mmHg)
Dichte: 1.253 · 1.253±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.51 · 8.51±0.10(Predicted)
Aggregatzustand: Crystalline Chunks
Farbe: Slightly yellow
CAS Datenbank: 132834 · 132834-58-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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.