1-(2,5-Dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
Basic information
- CAS
326901-93-3- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1- InChIKey
JJGZUIQANDKONY-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O4S
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.0160325
Names & identifiers
- Preferred name
- 1-(2,5-Dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
- IUPAC
- 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
- English name
- 1-[(2,5-dichlorophenyl)sulfonyl]-4-(4-nitrophenyl)piperazine
- Molecular formula
- C16H15Cl2N3O4S
- Molecular weight
- 416.28
Names & synonyms
1,4-dichloro-2-{[4-(4-nitrophenyl)piperazinyl]sulfonyl}benzene1-[(2,5-dichlorophenyl)sulfonyl]-4-(4-nitrophenyl)piperazine1-[(2,5-dichlorophenyl)sulfonyl]-4-{4-nitrophenyl}piperazine1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazineOprea1_722799STK072219AKOS001604963CCG-342260ST010734AG-690/11632264SR-01000407277SR-01000407277-1
Show more names
Piperazine, 1-[(2,5-dichlorophenyl)sulfonyl]-4-(4-nitrophenyl)-
1-(2,5-dichlorobenzene-1-sulfonyl)-4-(4-nitrophenyl)piperazine326901-93-3
Database identifiers
- CAS
326901-93-3- PubChem CID
- 2852663
- EC Number
- 169-469-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Boiling point
- 611.3 · 611.3±65.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- 0.37 · 0.37±0.40(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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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