1-(3-Fluorophenyl)piperazine

HCID 77418

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3801-89-6
Standard SMILES: Fc1cccc(N2CCNCC2)c1
InChIKey: KIFCSMQTGWVMOD-UHFFFAOYSA-N
Molecular formula: C10H13FN2
Average molar mass: 180.22 g/mol
Monoisotopic mass: 180.10627664

Names & identifiers

Preferred name: 1-(3-Fluorophenyl)piperazine
IUPAC: 1-(3-fluorophenyl)piperazine
English name: 1-(3-Fluorophenyl)piperazine
Molecular formula: C10H13FN2
Molecular weight: 180.22

Names & synonyms

1-(3-Fluorophenyl)piperazine3801-89-6Piperazine, 1-(3-fluorophenyl)-B46UBR8BEEEINECS 223-271-9N-(3-Fluorophenyl)piperazineDTXSID401914261-(M-FLUOROPHENYL)PIPERAZINEPIPERAZINE, 1-(M-FLUOROPHENYL)-RefChem:423859DTXCID50113917223-271-9

Show more names

1-(3-Fluorophenyl)piperazine97%1-(3-Fluorophenyl)piperazine 97%1-(3-Fluorophenyl)piperazine ,98%

Piperazine,1-(3-fluorophenyl)-1-(3-fluorophenyl)-piperazineC10H13FN2MFCD03412122CHEMBL2697841-(3-Fluoro-phenyl)-piperazine3-fluorophenyl piperazineUNII-B46UBR8BEE

Database identifiers

CAS: 3801-89-6
PubChem CID: 77418
DTXSID: DTXSID40191426
ChEMBL: CHEMBL269784
UNII: B46UBR8BEE
EC Number: 223-271-9
Nikkaji: J217.688B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Physicochemical properties

Boiling point: 88 · 88-91°C 0,2mm
Density: 1.112 · 1.112±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.85 · 8.85±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 3801 · 3801-89-6(CAS DataBase Reference)
FDA UNII: 46 UBR8BEE · B46UBR8BEE
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H332-H302-H335-H319-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-52-22
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 20/21/22-36/37/38-52-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H312-H332-H302-H335-H319-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses1-(3-Fluorophenyl)-piperazine is a Piperazine (P480100) derivative. Piperazine Dihydrochloride is an anthelmintic agent used in the treatment of parasitic worms in animals.