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HCID 4296Erstellt: 26. Oktober 2026

N-(α,α,α-Trifluor-3-tolyl)piperazin

TFTP · AKOS BBS-00003586 · RARECHEM AH CK 0203 · LABOTEST-BB LT00044462 · 1-(3-Methoxyphenyl)pipera · Flibanserin Impurity 2 Monomer · 1-(3-TRIFLUOROMETHYL)-PIPERAZINE · 3-(1-piperazino)benzotrifluoride

https://huagongshe.com/de/chemical/4296

Molekülstruktur von N-(α,α,α-Trifluor-3-tolyl)piperazin

Identifikatoren & physikalische Daten

CAS No.15532-75-9
SummenformelC11H13F3N2
Durchschnittliche Molmasse230,23 g/mol
Monoisotopische Masse230,10308308 g/mol
SMILESFC(F)(F)c1cccc(N2CCNCC2)c1
InChIKeyKKIMDKMETPPURN-UHFFFAOYSA-N
PubChem CID4296
ChEMBLCHEMBL274866
ChEBICHEBI:83536
EC No.239-574-4
DTXSIDDTXSID10165876
Lokaler NameN-(α,α,α-Trifluor-3-tolyl)piperazin

Chemische & physikalische Eigenschaften

XLogP2,3
Polarare Oberfläche (TPSA)15,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen1
Schwere Atome16
Formalladung0
Komplexität224
ArzneimittelDEA NFLIS-Drug Category -> Piperazines (Hallucinogen)
Collision Cross Section151.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
Siedepunkt100-102°C 0,1mm
Dichte1.226 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.521(lit.)
Flammpunkt>230 °F
Lagerbedingungen-20°C
pKa (Säurekonstante)8.88±0.10(Predicted)
Aggregatzustandliquid
BRN614217
Hauptanwendungenforensics and toxicology
InChI1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H21H/i4D2,7D2
InChIKeyDGNLGWJZZZOYPT-DCZHHYCSSA-N
SMILESCl.[2H]C1([2H])CN(c2cccc(c2)C(F)(F)F)C([2H])([2H])CN1
CAS Datenbank15532-75-9(CAS DataBase Reference)
NIST chemische InformationenPiperazine, 1-[3-(trifluoromethyl)phenyl]-(15532-75-9)

Sicherheit & Vorschriften

GHS-EinstufungDangerH314 (11.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Corr. 1B (11.4%)
Wassergefährdungsklasse (WGK)3
UN-Transportnummer2735
Zollcode29335995
RTECS-Nr.TM2820000
R-Sätze (R)36/37/38
GefahrensymboleXi,C
hazard_noteCorrosive
Sicherheitshinweise (S)26-36
Gefahrenklasse8Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
VerpackungsgruppeII
Lagerklasse3 - Flammable liquids