1,4-Bis(4-nitrobenzoyl)piperazine

IUPAC: [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone

CAS 93065-62-4
C18H16N4O6

1,4-Bis(4-nitrobenzoyl)piperazine (CAS 93065-62-4) is a chemical compound with molecular formula C18H16N4O6 and molecular weight 384.3 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive, Health Hazard, Hazardous to the Environment.

What is 1,4-Bis(4-nitrobenzoyl)piperazine?

Molecular Formula
C18H16N4O6
Molecular Weight
384.30 g/mol

Structure Identifiers

SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O6/c23-17(13-1-5-15(6-2-13)21(25)26)19-9-11-20(12-10-19)18(24)14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2
InChIKey
KZZNCJHPWZZHEZ-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
384.1070 Da
XLogP
2.00
TPSA
132.0 Ų
H-Bond Donors
0
H-Bond Acceptors
6
Complexity
553
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Corrosive GHS05
GHS pictogram: Health Hazard GHS07
GHS pictogram: Hazardous to the Environment GHS09

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P273 Avoid release to the environment
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P391 Collect spillage
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (15)

  • ST023428
  • 670-135-3
  • STK391350
  • 93065-62-4
  • CHEMBL421379
  • AKOS002707186
  • Oprea1_162864
  • Oprea1_555572
  • DTXSID70389096
  • RefChem:416431
  • 1,4-bis(4-nitrobenzoyl)piperazine
  • Piperazine, 1,4-bis(4-nitrobenzoyl)-
  • piperazine-1,4-diylbis[(4-nitrophenyl)methanone]
  • (Piperazine-1,4-diyl)bis[(4-nitrophenyl)methanone]
  • 4-nitrophenyl 4-[(4-nitrophenyl)carbonyl]piperazinyl ketone

Frequently asked questions

What is the CAS number of 1,4-Bis(4-nitrobenzoyl)piperazine?

The CAS Registry Number for 1,4-Bis(4-nitrobenzoyl)piperazine is 93065-62-4.

What is the IUPAC name of 1,4-Bis(4-nitrobenzoyl)piperazine?

The IUPAC name of 1,4-Bis(4-nitrobenzoyl)piperazine is [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.

What is the molecular formula of 1,4-Bis(4-nitrobenzoyl)piperazine?

1,4-Bis(4-nitrobenzoyl)piperazine has the molecular formula C18H16N4O6 and a molecular weight of 384.3 g/mol.

What is the SMILES notation for 1,4-Bis(4-nitrobenzoyl)piperazine?

The SMILES notation for 1,4-Bis(4-nitrobenzoyl)piperazine is C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-].

Is 1,4-Bis(4-nitrobenzoyl)piperazine hazardous?

1,4-Bis(4-nitrobenzoyl)piperazine carries the following GHS hazard classifications: Corrosive, Health Hazard, Hazardous to the Environment. Signal word: Danger.

What are other names for 1,4-Bis(4-nitrobenzoyl)piperazine?

1,4-Bis(4-nitrobenzoyl)piperazine is also known as (Piperazine-1,4-diyl)bis[(4-nitrophenyl)methanone], 1,4-bis(4-nitrobenzoyl)piperazine, 4-nitrophenyl 4-[(4-nitrophenyl)carbonyl]piperazinyl ketone, 670-135-3, 93065-62-4.

Data sourced from PubChem CID 3092238. Last updated .

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