Basic information
- CAS
326901-40-0- Standard SMILES
O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
SEDSYALFAKACNY-UHFFFAOYSA-N- Molecular formula
- C17H16BrN3O3
- Average molar mass
- 390.2 g/mol
- Monoisotopic mass
- 389.0375
Names & identifiers
- Preferred name
- 1-(2-Bromobenzoyl)-4-(4-nitrophenyl)piperazine
- IUPAC
- (2-bromophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
- English name
- 1-[(2-bromophenyl)carbonyl]-4-{4-nitrophenyl}piperazine
- Molecular formula
- C17H16BrN3O3
- Molecular weight
- 390.23
Names & synonyms
1-(2-Bromobenzoyl)-4-(4-nitrophenyl)piperazine1-[(2-bromophenyl)carbonyl]-4-{4-nitrophenyl}piperazine326901-40-0(2-bromophenyl)[4-(4-nitrophenyl)piperazin-1-yl]methanoneOprea1_468956SCHEMBL15506283SEDSYALFAKACNY-UHFFFAOYSA-N(2-bromophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanoneSTK061465AKOS000673403ST010607EU-0068963
Show more names
Methanone, (2-bromophenyl)[4-(4-nitrophenyl)-1-piperazinyl]-
2-bromophenyl 4-(4-nitrophenyl)piperazinyl ketoneAG-690/33482002SR-010004072161-(2-Bromobenzoyl)-4-(4-nitrophenyl)piperazine #SR-01000407216-1Piperazine, 1-(2-bromobenzoyl)-4-(4-nitrophenyl)-
Database identifiers
- CAS
326901-40-0- PubChem CID
- 600792
- EC Number
- 169-391-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 577.6 · 577.6±50.0 °C(Predicted)
- Density
- 1.513 · 1.513±0.06 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.10(Predicted)
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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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