Acenaphthenequinone - ≥98% , CAS No.82-86-0

CAS: 82-86-0 Cat. No.: A112967 Molecular Weight: 182.17 Beilstein Registry Number: 879172 EC Number: 201-441-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
FT-0621717 | Tox21_202947 | NCGC00260493-01 | Q2739953 | 1,2-Diketoacenaphthene | Acenaphthenedione | Acenaphthenequinone | F1908-0136 | SCHEMBL141538 | acenaphthene-1,2-dione | MFCD00003805 | 1,2-dihydroacenaphthylenedione | NSC 7656 | AKOS000120366 | Ac
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
A112967-1g
4

$9.90

$14.90
Save $5.00 (33.56%)
5g
A112967-5g
5

$22.90

$34.90
Save $12.00 (34.38%)
25g
A112967-25g
3

$59.90

$89.90
Save $30.00 (33.37%)
100g
A112967-100g
1

$201.90

$302.90
Save $101.00 (33.34%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

application:

Acenaphthenequinone is used in the preparation of acetylcholinesterase inhibitory agents. It is also used in the preparation of turn-on sensors for cysteine/homocysteine and its application in bioimaging. Further, it is used as an intermediate in manufacturing of dyes and pharmaceuticals. In addition to this, it is used in chemical research as a drug and therapeutic agent.

Specifications

Synonyms
FT-0621717 | Tox21_202947 | NCGC00260493-01 | Q2739953 | 1, 2-Diketoacenaphthene | Acenaphthenedione | Acenaphthenequinone | F1908-0136 | SCHEMBL141538 | acenaphthene-1, 2-dione | MFCD00003805 | 1, 2-dihydroacenaphthylenedione | NSC 7656 | AKOS000120366 | Ac
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488180141
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180141
Canonical SmilesC1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
IUPAC Nameacenaphthylene-1,2-dione
InChIKeyAFPRJLBZLPBTPZ-UHFFFAOYSA-N
INCHI1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
Isomeric SMILES C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
WGK Germany 3
RTECS AB1024500
Molecular Weight 182.17
Beilstein 879172
Reaxy-Rn 879172
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879172&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Naphthalene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors a quinone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CES1 Tchem Liver carboxylesterase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CES2 Tchem Cocaine esterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

20 results found

Lot NumberCertificate TypeDateItem
C2211124Certificate of AnalysisDec 10, 2025 A112967
C2211126Certificate of AnalysisDec 10, 2025 A112967
C2211154Certificate of AnalysisDec 10, 2025 A112967
I2117317Certificate of AnalysisJul 10, 2025 A112967
I2117318Certificate of AnalysisJul 10, 2025 A112967
I2117345Certificate of AnalysisJul 10, 2025 A112967
F2121030Certificate of AnalysisApr 08, 2025 A112967
K2506194Certificate of AnalysisJul 05, 2024 A112967
L1909163Certificate of AnalysisSep 07, 2023 A112967
B2325205Certificate of AnalysisMar 03, 2023 A112967
B2325206Certificate of AnalysisMar 03, 2023 A112967
L2207037Certificate of AnalysisNov 14, 2022 A112967
L2207080Certificate of AnalysisNov 14, 2022 A112967
L2207085Certificate of AnalysisNov 14, 2022 A112967
L2207086Certificate of AnalysisNov 14, 2022 A112967
L2207429Certificate of AnalysisNov 14, 2022 A112967
L2207430Certificate of AnalysisNov 14, 2022 A112967
L2207431Certificate of AnalysisNov 14, 2022 A112967
L2207445Certificate of AnalysisNov 14, 2022 A112967
C2211092Certificate of AnalysisFeb 14, 2022 A112967

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Chemical and Physical Properties
SolubilitySoluble in chloroform and alcohol. Insoluble in water.
Melt Point(°C)255°C
Molecular Weight182.170 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass182.037 Da
Monoisotopic Mass182.037 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity267.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Ning Liu, NiNa Qiao, Feng-Shou Liu, ShaoHua Wang, Ying Liang.  (2020)  Bulky α-diimine palladium complexes supported graphene oxide as heterogeneous catalysts for Suzuki-Miyaura reaction.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2020.128537]
2. Jie Zhao, Hongjuan Li, Kui Yang, Shiguo Sun, Aiping Lu, Yongqian Xu.  (2014)  A specific and rapid “on-off” acenaphthenequinone-based probe for HOCl detection and imaging in living cells.  NEW JOURNAL OF CHEMISTRY,  38  (8): (3371-3374).  [PMID:] [10.1039/C4NJ00470A]
3. Jie Zhao, Yongqian Xu, Hongjuan Li, Aiping Lu, Shiguo Sun.  (2013)  A facile intracellular fluorescent probe for detection of hydrazine and its application.  NEW JOURNAL OF CHEMISTRY,  37  (12): (3849-3852).  [PMID:] [10.1039/C3NJ00822C]
4. Keda Chen, Qinglan Tang, Lei Ran, Yifan Xu, Yongfa Zhu, Yizhen Zhang, Michael K.H. Leung.  (2025)  Built-in Interface electric field microenvironment in covalent organic framework modified heterojunction guiding Electron transfer for effective photocatalytic CO2 reduction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40628059] [10.1016/j.jcis.2025.138326]
Solution Calculators
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