Methoxybenzoquinone - ≥99%(GC) , CAS No.2880-58-2

CAS: 2880-58-2 Cat. No.: M140181 Molecular Weight: 138.12 Beilstein Registry Number: 8(4)1733 EC Number: 809-193-3

GRADE & PURITY ≥99%(GC)

Synonyms

2-Methoxy-p-benzoquinone | trimethyl-1,3-thiazole | BDBM50130360 | M1045 | Methyl beta-methiopropionate | p-Benzoquinone, methoxy | 2 -methoxy-p-benzoquinone | 2-methoxybenzoquinone | NCIOpen2_003694 | DTXSID00182991 | METHYL 4-(((6-CHLORO-5-NITROPYRIMIDI

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methoxy-p-benzoquinone | trimethyl-1, 3-thiazole | BDBM50130360 | M1045 | Methyl beta-methiopropionate | p-Benzoquinone, methoxy | 2 -methoxy-p-benzoquinone | 2-methoxybenzoquinone | NCIOpen2_003694 | DTXSID00182991 | METHYL 4-(((6-CHLORO-5-NITROPYRIMIDI

Specifications & Purity

≥99%(GC)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504755029
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755029
• Canonical Smiles: COC1=CC(=O)C=CC1=O
• IUPAC Name: 2-methoxycyclohexa-2,5-diene-1,4-dione
• InChIKey: ZJKWJHONFFKJHG-UHFFFAOYSA-N
• INCHI: 1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
• Isomeric SMILES: COC1=CC(=O)C=CC1=O
• Molecular Weight: 138.12
• Beilstein: 8(4)1733
• Reaxy-Rn: 2042663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042663&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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: Not available

Data sources

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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

Discover Target: ERBB2

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

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

FLT4 Tclin Vascular endothelial growth factor receptor 3 (3216 Activities)

Discover Target: FLT4

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

TEK Tclin Tyrosine-protein kinase TIE-2 (3348 Activities)

Discover Target: TEK

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

Associated Targets(non-human)

botA Botulinum neurotoxin type A (1303 Activities)

Discover Target: botA

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive.Light sensitive.
• Melt Point(°C): 145.0-149.0℃
• Molecular Weight: 138.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 235.000
• 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

References

1. Ruipeng Shen, Min Li, Shuo Wang, Yu-Mo Zhang, Sean Xiao-An Zhang.  (2025)  An electrochromic device based on dynamic coordination and the dissociation of Fe2+/Fe3+ and a leuco dye with an improved cycle life.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D4TC04582C]