1-(2-Chlorophenyl)piperazine

HCID 415628CAS 39512-50-0

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccccc1N1CCNCC1
InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N
Molecular formula: C10H13ClN2
Average molar mass: 196.67 g/mol
Monoisotopic mass: 196.0767261

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)piperazine
IUPAC: 1-(2-chlorophenyl)piperazine
English name: 1-(2-Chlorophenyl)piperazine
Molecular formula: C10H13ClN2
Molecular weight: 196.68

Names & synonyms

1-(2-Chlorophenyl)piperazine39512-50-0DTXSID2057734EINECS 254-480-3ortho-chlorophenylpiperazineDTXCID3031523RefChem:421911254-480-3Piperazine, 1-(2-chlorophenyl)-MFCD000407271-(2-Chloro-phenyl)-piperazine1-(o-CHLOROPHENYL)PIPERAZINE

Show more names

1-(2-CHLORPHENYL)-PIPERAZINEAKOS BBS-00006438TIMTEC-BB SBB003581ChlorphenylpiperazinLABOTEST-BB LT00077031Aripiprazole Impurity 34N-(o-Chlorophenyl)piperazineN-(2-Chlorophenyl)piperazine

CHEMBL98411-(2-chlorophenyl)-piperazine(2-chlorophenyl)piperazine1-(o-Chlorophenyl)piperazine; 1-(2-Chlorophenyl)piperazine; 1-(o-Chlorophenyl)piperazine; N-(2-Chlorophenyl)piperazine; N-(o-Chlorophenyl)piperazine;QR3YBZ8V72N-(o-chlorophenyl)-piperazineSCHEMBL219341SCHEMBL230424

Database identifiers

CAS: 39512-50-0
PubChem CID: 415628
DTXSID: DTXSID2057734
ChEMBL: CHEMBL9841
UNII: QR3YBZ8V72
EC Number: 254-480-3
Nikkaji: J208.258F

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

LogP2.13

Physicochemical properties

Melting point: 152 · 152-154 °C
Boiling point: 102 · 102-104°C 0,2mm
Density: 1.18 · 1.18
refractive index: 1.581 · 1.5810-1.5850
storage temp.: Store at Room Tem.
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 8.81 · 8.81±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
InChI: InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2Cl)CCNCC1
CAS DataBase Reference: 39512 · 39512-50-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933.59 · 2933.59.8000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2933.59.8000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313