CAS 2252-63-3 1-(4-Fluorophenyl)piperazine (HCID 75260)

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)piperazine
IUPAC: 1-(4-fluorophenyl)piperazine
English name: 1-(4-Fluorophenyl)piperazine
Molecular formula: C10H13FN2
Molecular weight: 180.22

Names & synonyms

1-(4-Fluorophenyl)piperazine2252-63-34-Fluoro-phenylpiperazineFlipiperazinepFPPpara-fluorophenylpiperazine4-FPPVML61BE244J213.146Cp-fluoro-phenylpiperazineRefChem:523367para-fluoro-phenylpiperazine

Show more names

1-(4-Fluorophenyl)piperazine, 98% 10GRMONA-004AKOS BBS-00003614RARECHEM AH CK 0104TIMTEC-BB SBB000218LABOTEST-BB LT00053495FLUOROPHENYL PIPERAZINEp-FluorophenylpiperazineN-(p-Fluorophenyl)piperazine

218-846-64-fluorophenylpiperazineN-(4-Fluorophenyl)piperazinePiperazine, 1-(4-fluorophenyl)-1-(p-Fluorophenyl)piperazine4-(4-fluorophenyl)piperazine1-(4'-Fluorophenyl)piperazine1-(4-fluoro-phenyl)-piperazine

Database identifiers

CAS: 2252-63-3
PubChem CID: 75260
DTXSID: DTXSID50177039
ChEMBL: CHEMBL1184236
UNII: VML61BE244
EC Number: 218-846-6
Nikkaji: J213.146C

Properties

Computed structural properties

XLogP: 1.3
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: 149

Experimental & physicochemical properties

Drugs · 2 items

DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 30 · 30-33 °C (lit.)
Boiling point: 118 · 118-123 °C/0.1 mmHg (lit.)
Density: 1 · 1.0
refractive index: 1.5585 · 1.5585-1.5605
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Liquid After Melting
pka: 8.93 · 8.93±0.10(Predicted)
color: Clear yellow
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
BRN: 610723 · 610723
InChI: 1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)N2CCNCC2
CAS DataBase Reference: 2252 · 2252-63-3(CAS DataBase Reference)
FDA UNII: 61 BE244 · VML61BE244
NIST Chemistry Reference: 1 · 1-(P-fluorophenyl)piperazine(2252-63-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,T,C
Risk Statements: 22 · 22-36/37/38-20/21/22
Safety Statements: 26 · 26-36
RIDADR: 2811 · 2811
WGK Germany: 2 · 2
Hazard Note: Toxic/Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (10.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
ridadr: 2811
hs_code: 29339900
risk_code: 22-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,T,C
hazard_note: Toxic/Corrosive
safety_code: 26-36
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-(4-Fluorophenyl)piperazine was used in the synthesis of N,N-disubstituted piperazine. It is a major metabolite of niaparazine, a sedative, a hypnotic drug.

Uses1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidatio n.