1,4-Bis(4-nitrophenyl)piperazine

HCID 85353

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Basic information

CAS: 16264-05-4
Standard SMILES: O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIKey: VCZGAOMAWKGNEF-UHFFFAOYSA-N
Molecular formula: C16H16N4O4
Average molar mass: 328.32 g/mol
Monoisotopic mass: 328.117155

Names & identifiers

Preferred name: 1,4-Bis(4-nitrophenyl)piperazine
IUPAC: 1,4-bis(4-nitrophenyl)piperazine
English name: 1,4-bis(4-nitrophenyl)piperazine
Molecular formula: C16H16N4O4
Molecular weight: 328.32

Names & synonyms

1,4-Bis(4-nitrophenyl)piperazine16264-05-4EINECS 240-371-8DTXSID70167412NSC 725997RefChem:73129DTXCID8089903240-371-8Piperazine, 1,4-bis(4-nitrophenyl)-MFCD00156622P6TE7B2EYYNSC-725997

Show more names

Palbociclib Impurity 71Palbociclib impurity 7/1,4-bis(4-nitrophenyl)piperazine

Palbociclib-006UNII-P6TE7B2EYYCHEMBL1944659SCHEMBL152713811,4-Bis(p-nitrophenyl)piperazineVCZGAOMAWKGNEF-UHFFFAOYSA-NNSC725997STL497607

Database identifiers

CAS: 16264-05-4
PubChem CID: 85353
DTXSID: DTXSID70167412
ChEMBL: CHEMBL1944659
UNII: P6TE7B2EYY
EC Number: 240-371-8
Nikkaji: J286.853I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 398

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 258.5 · 258.5-259 °C
Boiling point: 556.8 · 556.8±50.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
pka: 1.36 · 1.36±0.40(Predicted)
FDA UNII: 6 TE7B2EYY · P6TE7B2EYY
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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 · 4 items

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers44 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]

Related reactions

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Compound notes

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