2,6-Dimethoxy-1,4-benzoquinone - ≥97%(HPLC) , CAS No.530-55-2

CAS: 530-55-2 Cat. No.: D154943 Peso molecular: 168.15 Beilstein Registry Number: 8385 Número EC: 208-484-7

2 Citations COA

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2,6-Dimethoxy-1,4-benzoquinone - ≥97%(HPLC) CAS No(530-55-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥97%(HPLC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%(HPLC)

Nombres e identificadores

Pubchem Sid	488184115
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184115
Sonrisas canónicas	COC1=CC(=O)C=C(C1=O)OC
IUPAC Name	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
InChIKey	OLBNOBQOQZRLMP-UHFFFAOYSA-N
INCHI	1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
Isómeros SMILES	COC1=CC(=O)C=C(C1=O)OC
WGK Alemania	3
RTECS	DK4750000
Peso molecular	168.15
Beilstein	8385
Reaxy-Rn	2048182
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048182&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Quinones
        Level8 Benzoquinones
        Level9 P-benzoquinones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent	P-benzoquinones
Alternative Parents	Vinylogous esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-benzoquinone - Vinylogous ester - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
External Descriptors	benzoquinones
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
F2108094	Certificate of Analysis	Mar 04, 2025	D154943
F2108095	Certificate of Analysis	Mar 04, 2025	D154943
F2108097	Certificate of Analysis	Mar 04, 2025	D154943
E2114350	Certificate of Analysis	Feb 07, 2025	D154943
K2528530	Certificate of Analysis	Apr 13, 2024	D154943
G1918114	Certificate of Analysis	May 08, 2023	D154943
D2402010	Certificate of Analysis	Jun 16, 2021	D154943
F2328166	Certificate of Analysis	Jun 16, 2021	D154943
F2328175	Certificate of Analysis	Jun 16, 2021	D154943
C2308582	Certificate of Analysis	May 28, 2021	D154943

Solubilidad	Slightly soluble in Ether,Alcohol
Peso molecular	168.150 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.042 Da
Monoisotopic Mass	168.042 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	259.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1