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A7300 Sigma-Aldrich

N-Acetylbenzoquinoneimine

Synonym: N-(4-Oxo-1-cyclohexa-2,5-dienylidene)acetamide, N-Acetyl-p-benzo-quinoneimine, NAPQI

  • CAS Number 50700-49-7

  • Empirical Formula (Hill Notation) C8H7NO2

  • Molecular Weight 149.15

  •  MDL number MFCD00078909

  •  PubChem Substance ID 57653880

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Imines & Amidines, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   100
storage temp.   −70°C
SMILES string   CC(=O)\N=C1\C=CC(=O)C=C1
InChI   1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
InChI key   URNSECGXFRDEDC-UHFFFAOYSA-N

Description

Application

Reactant involved in:
• Redox reactions
• Hydrohalogenation
• pH dependent reactions: in acidic media it is hydrolyzed, hydroxylated in alkaline media, and dimerized at intermediate pHs
• Mediation of acetaminophen hepatotoxicity
• Studies to identify the utility of acetaminophen for treating autoimmune disorders

Packaging

1, 5 mg in clear glass bottle

Other Notes

Acetaminophen metabolite that reacts with serum proteins.

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. A7300.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Caution

air, moisture and light sensitive

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
RTECS 
AC6960000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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