1-(3-Bromobenzyl)piperazine
Basic information
- CAS
423154-81-8- Standard SMILES
Brc1cccc(CN2CCNCC2)c1- InChIKey
TUKZQYYLUARXKM-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.04186
Names & identifiers
- Preferred name
- 1-(3-Bromobenzyl)piperazine
- IUPAC
- 1-[(3-bromophenyl)methyl]piperazine
- English name
- 1-(3-Bromobenzyl)-piperazine
- Molecular formula
- C11H15BrN2
- Molecular weight
- 255.15
Names & synonyms
1-(3-bromobenzyl)piperazine423154-81-8DTXSID30358086RefChem:224206DTXCID603091421-[(3-bromophenyl)methyl]piperazine1-(3-Bromo-benzyl)-piperazineMFCD02211309MFCD07357510[(3-bromophenyl)methyl]piperazine1-((3-Bromophenyl)methyl)piperazine1-(3-Bromobenzyl)piperazine 2HCl
Show more names
1-(3-BroMobenyl)piperazine 2HClPiperazine, 1-[(3-bromophenyl)methyl]-1-(3-Bromobenyl)piperazine dihydrochloride
1-(3-BROMOBENZYL)-PIPERAZINEPiperazine,1-[(3-bromophenyl)methyl]-Oprea1_497862SCHEMBL5328071-(3-bromo benzyl)-piperazineSCHEMBL27423704SBB003115STK312545
Database identifiers
- CAS
423154-81-8- PubChem CID
- 876852
- DTXSID
DTXSID30358086- EC Number
- 674-800-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 329.4 · 329.4±27.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.13 · 9.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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