2,5-DIHYDROXY-1,4-BENZOQUINONE
Product Information
Molecular Formula
C6H4O4
Molecular Weight
140.09
Description
2,5-Dihydroxy-1,4-benzoquinone is a natural product found in Aspergillus fumigatus.
Synonyms
2,5-DIHYDROXY-1,4-BENZOQUINONE; 2,5-DIHYDROXY-P-BENZOQUINONE; 2,5-DIHYDROXYBENZOQUINONE; 2,5-DIHYDROXY-P-QUINONE; 2,5-Dihydroxybenzo-1,4-quinone; 2,5-Dihyroxy-p-benzoquinone; 4-dione,2,5-dihydroxy-5-cyclohexadiene-1; p-Benzoquinone, 2,5-dihydroxy-
IUPAC Name
2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
SMILES
C1=C(C(=O)C=C(C1=O)O)O
InChI
InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H
InChI Key
QFSYADJLNBHAKO-UHFFFAOYSA-N
Melting Point
235 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
>90.0%(T)
Density
1.843 g/cm3
Appearance
Ochre to brown powder
Safety Information
Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Computed Properties
XLogP3
-0.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
140.01095860 g/mol
Monoisotopic Mass
140.01095860 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
231
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3819398-A1 | Electroless copper plating and counteracting passivation | 2019-11-11 |
| US-2021140051-A1 | Electroless copper plating and counteracting passivation | 2019-11-11 |
| US-2021118626-A1 | Redox-mediated poly(vinylphosphonic acid) useful in capacitors | 2019-10-21 |
| WO-2021076676-A1 | Etching composition and method for euv mask protective structure | 2019-10-17 |
| WO-2021035342-A1 | Methods for converting tetrahydrocannabinolic acid into cannabinolic acid | 2019-08-23 |
| WO-2021035344-A1 | Methods for reducing thc content in complex cannabinoid mixtures in which thc is a minor component | 2019-08-23 |
| US-2020398222-A1 | Control of composite covalent organic framework by varying functional groups inside the pore | 2019-06-14 |
| WO-2020252272-A1 | Liquid compositions for selectively removing polysilicon over p-doped silicon and silicon-germanium during manufacture of a semiconductor device | 2019-06-13 |
| WO-2020142372-A1 | Method of preparing acryloxy-functional organosilicon compounds | 2018-12-31 |
| WO-2020142388-A1 | Composition, method of preparing copolymer, and methods and end uses thereof | 2018-12-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 15865340 | 2005-08-01 | Identification and characterization of hydroxyquinone hydratase activities from Sphingobium chlorophenolicum ATCC 39723 | Biodegradation |
| 12524124 | 2003-02-01 | Inelastic neutron scattering (INS) studies on 2,5-dihydroxy-1,4-benzoquinone (DHBQ) | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 12495212 | 2002-07-01 | Anti-HSV-1 activity of synthetic humic acid-like polymers derived from p-diphenolic starting compounds | Antiviral chemistry & chemotherapy |
| 11408688 | 2001-06-01 | Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene-2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate | Acta crystallographica. Section C, Crystal structure communications |
| 10989984 | 2000-07-01 | Steroid hormone activity of flavonoids and related compounds | Breast cancer research and treatment |
