ChemicalBook--->CAS DataBase List--->66698-28-0

66698-28-0

66698-28-0 Structure

66698-28-0 Structure
IdentificationMore
[Name]

1-(4-BROMOPHENYL)PIPERAZINE
[CAS]

66698-28-0
[Synonyms]

1-(4-BROMOPHENYL)PIPERAZINE
1-(4-BROMO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE
[Molecular Formula]

C10H13BrN2
[MDL Number]

MFCD00130198
[Molecular Weight]

241.13
[MOL File]

66698-28-0.mol
Chemical PropertiesBack Directory
[Melting point ]

91-95 °C
[Boiling point ]

353.3±27.0 °C(Predicted)
[density ]

1.386±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

8.88±0.10(Predicted)
[InChI]

InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
[InChIKey]

PJHPFAFEJNBIDC-UHFFFAOYSA-N
[SMILES]

N1(C2=CC=C(Br)C=C2)CCNCC1
[CAS DataBase Reference]

66698-28-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xi
[Risk Statements ]

20/21/22
[WGK Germany ]

1
[Hazard Note ]

Irritant
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Description]

1-(4-Bromophenyl)piperazine (street names: 4-bromo-piperein, 4-BP, brein) is structurally related to 1-(4-fluorophenyl)piperazine and to 1-(4-chlorophenyl)piperazine. The only difference is the halogen substituent type attached to the phenyl ring's para-position. In the case of NPSs from the methcathinone group, which are also neurotransmitter releasers, structure–activity studies demonstrated that the replacement of a fluorine or chlorine atom with a bromine atom resulted in a compound with more potency for the release of both dopamine and serotonin. The lowest dopamine selectivity, an additional consequence of these halogen replacements, results in lower abuse potential in favor of empathogenic properties[1].
[References]

[1] Magdalena Pop?awska. “Identification and structural characterization of three psychoactive substances, phenylpiperazines (pBPP and 3,4-CFPP) and a cocaine analogue (troparil), in collected samples.” Forensic Toxicology 40 1 (2022): 132–143.
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