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

HCID 667618CAS 132834-58-3

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1ccc(N2CCNCC2)nc1
InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N
Molecular formula: C10H12F3N3
Average molar mass: 231.22 g/mol
Monoisotopic mass: 231.09833204

Names & identifiers

Preferred name: 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
IUPAC: 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
English name: 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
Molecular formula: C10H12F3N3
Molecular weight: 231.22

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 43 · 43-46°C
Boiling point: 122 °C · 122 °C (2 mmHg)
Density: 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)
form: Crystalline Chunks
color: Slightly yellow
CAS DataBase Reference: 132834 · 132834-58-3(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310+P330-P405-P501
Hazard Codes: C,Xi,T
Risk Statements: 34 · 34-25
Safety Statements: 37 · 37/39-26-45
Hazard Note: Irritant
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

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.