1-[4-(Trifluoromethyl)benzyl]piperazine

HCID 2782803

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Grundinformationen

CAS: 107890-32-4
Standard-SMILES: FC(F)(F)c1ccc(CN2CCNCC2)cc1
InChIKey: FAFAFWFQFVLXGF-UHFFFAOYSA-N
Summenformel: C12H15F3N2
Durchschnittliche Molmasse: 244,26 g/mol
Monoisotopische Masse: 244,11873314

Namen und Bezeichner

Bevorzugter Name: 1-[4-(Trifluoromethyl)benzyl]piperazine
IUPAC: 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
Englischer Name: 1-(4-(Trifluoromethyl)benzyl)piperazine&
Summenformel: C12H15F3N2
Molmasse: 244.26

Namen und Synonyme

1-[4-(Trifluoromethyl)benzyl]piperazine1-(4-(Trifluoromethyl)benzyl)piperazineDTXSID90382307RefChem:428929DTXCID70333332627-900-1107890-32-41-[[4-(trifluoromethyl)phenyl]methyl]piperazine1-{[4-(trifluoromethyl)phenyl]methyl}piperazineN-[4-(Trifluoromethyl)benzyl]piperazine1-(4-TRIFLUOROMETHYLBENZYL)PIPERAZINE1-(4-Trifluoromethyl-benzyl)-piperazine

Weitere Namen anzeigen

1-(4-TrifluoroMethylbenzyl)piperazine 2HCl1-[4-(Trifluoromethyl)benzyl]piperazine 97%1-[4-(trifluoromethyl)benzyl]piperazine(SALTDATA: FREE)

MFCD03407490EN300-34325Piperazine, 1-[[4-(trifluoromethyl)phenyl]methyl]-orb3022785SCHEMBL1882723SCHEMBL2097422CHEMBL1740116SCHEMBL27993843

Datenbank-Bezeichner

CAS: 107890-32-4
PubChem CID: 2782803
DTXSID: DTXSID90382307
ChEMBL: CHEMBL1740116
EC Number: 627-900-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 88 · 88-89 °C0.02 mm Hg
Dichte: 1.239 g/mL · 1.239 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.491
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light
pka: 9.07 · 9.07±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Light orange to Yellow to Green
InChI: 1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey: FAFAFWFQFVLXGF-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CN2CCNCC2)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk: 2
ridadr: UN 2811 6.1/PG 3
hs_code: 2933.59.8000
risk_code: 22-36/37/38
hazard_code: Xn,C
safety_code: 26-36
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3