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2,5-Diphenyl-1,4-benzoquinone - ≥99.0%, high purity , CAS No.844-51-9

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2,5-Diphenyl-1,4-benzoquinone - ≥99.0%, high purity , CAS No.844-51-9

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 844-51-9
Molecular Weight: 260.29
Beilstein Registry Number: 7(3)4251
MDL number: MFCD00001600
PubChem CID: 70055
PubChem SID: 504754482

In stock

Item Number

D137063

Grouped product items
SKU	Size	Availability	Price
D137063-1g	1g	3	$9.90
D137063-5g	5g	3	$36.90
D137063-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$132.90

Basic Description

Synonyms	844-51-9 \| 2,5-Diphenyl-1,4-benzoquinone \| 2,5-Diphenyl-p-benzoquinone \| 2,5-Diphenylquinone \| 2,5-diphenylcyclohexa-2,5-diene-1,4-dione \| 2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl- \| [1,1':4',1''-Terphenyl]-2',5'-dione \| p-Benzoquinone, 2,5-diphenyl- \| 2,5-Diphenylbenz
Specifications & Purity	≥99%
Shipped In	Normal

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	Benzene and substituted derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-benzoquinone - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic 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
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)

SH-SY5Y (11521 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754482
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754482
IUPAC Name	2,5-diphenylcyclohexa-2,5-diene-1,4-dione
INCHI	InChI=1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H
InChIKey	QYXHDJJYVDLECA-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=CC=C3
Isomeric SMILES	C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=CC=C3
Molecular Weight	260.29
Beilstein	7(3)4251
Reaxy-Rn	2051812
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051812&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
I2018135	Certificate of Analysis	Aug 05, 2022	D137063
I2018136	Certificate of Analysis	Aug 05, 2022	D137063
I2018137	Certificate of Analysis	Aug 05, 2022	D137063
F2325378	Certificate of Analysis	Aug 05, 2022	D137063
F2325379	Certificate of Analysis	Aug 05, 2022	D137063

Chemical and Physical Properties

Solubility	Soluble in hot Toluene (almost transparency).
Melt Point(°C)	215-219°C
Molecular Weight	260.300 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	260.084 Da
Monoisotopic Mass	260.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	414.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu. (2025) Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus). VETERINARY PARASITOLOGY, 334 (110401).

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