CAS 16154-62-4 1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine (HCID 2837294)

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Basic information

CAS: 16154-62-4
Standard SMILES: CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIKey: UFFIYCVVTWWGGH-UHFFFAOYSA-N
Molecular formula: C11H14ClN3O2
Average molar mass: 255.7 g/mol
Monoisotopic mass: 255.0774544

Names & identifiers

Preferred name: 1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine
IUPAC: 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine
English name: BUTTPARK 83\09-70
Molecular formula: C11H14ClN3O2
Molecular weight: 255.7

Names & synonyms

1-(2-chloro-4-nitrophenyl)-4-methylpiperazine16154-62-4DTXSID40385500RefChem:223306DTXCID50336523MFCD00030787Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl-1-(2-Chloro-4-nitro-phenyl)-4-methyl-piperazineMLS000689081SMR000283168Oprea1_298056CBDivE_010477

Show more names

BUTTPARK 83\09-701-(2-Chloro-4-nitrophenyl)1-(2-CHLORO-4-NITROPHENYL)-4-METHYLPIPER1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine,97%

SCHEMBL2461666CHEMBL1361169SCHEMBL30464734BDBM69204cid_2837294UFFIYCVVTWWGGH-UHFFFAOYSA-NHMS2713A09BBL034686

Database identifiers

CAS: 16154-62-4
PubChem CID: 2837294
DTXSID: DTXSID40385500
ChEMBL: CHEMBL1361169
Nikkaji: J856.873A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 276

Physicochemical properties

Melting point: 106 °C · 106 °C
Boiling point: 384.9 · 384.9±42.0 °C(Predicted)
Density: 1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Solid
pka: 7.18 · 7.18±0.42(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338