1-(4-Bromophenyl)piperazine
Synonym(s):1-(4-bromophenyl)piperazine
- CAS NO.:66698-28-0
- Empirical Formula: C10H13BrN2
- Molecular Weight: 241.13
- MDL number: MFCD00130198
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-13 12:01:53
What is 1-(4-Bromophenyl)piperazine?
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].
What are the applications of Application
1-(4-Bromophenyl)piperazine is a brominated piperazine for proteomics research
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.
Properties of 1-(4-Bromophenyl)piperazine
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 |
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 |
CAS DataBase Reference | 66698-28-0(CAS DataBase Reference) |
Safety information for 1-(4-Bromophenyl)piperazine
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 1-(4-Bromophenyl)piperazine
InChIKey | PJHPFAFEJNBIDC-UHFFFAOYSA-N |
SMILES | N1(C2=CC=C(Br)C=C2)CCNCC1 |
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