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A7300

N-Acetylbenzoquinoneimine

Name: <I>N</I>-Acetylbenzoquinoneimine
Brand: ALDRICH

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):

C₈H₇NO₂

CAS Number:

50700-49-7

Molecular Weight:

149.15

NACRES:

NA.22

PubChem Substance ID:

57653880

UNSPSC Code:

12352100

MDL number:

MFCD00078909

Form:

solid

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Properties

form

solid

Quality Segment

100

functional group

amine, imine, ketone

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

Other Notes

Acetaminophen metabolite that reacts with serum proteins.

Disclaimer

air, moisture and light sensitive

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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