2,5-Dihydroxy-1,4-benzoquinone
Basic information
- CAS
1760-52-7- Standard SMILES
O=C1C=C(O)C(=O)C=C1O- InChIKey
QFSYADJLNBHAKO-UHFFFAOYSA-N- Molecular formula
- C6H4O4
- Average molar mass
- 140.09 g/mol
- Monoisotopic mass
- 140.0109586
Overview
2,5-Dihydroxy-1,4-benzoquinone has been reported in Aspergillus fumigatus with data available.
Names & identifiers
- Preferred name
- 2,5-Dihydroxy-1,4-benzoquinone
- IUPAC
- 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-DIHYDROXY-1,4-BENZOQUINONE
- Molecular formula
- C6H4O4
- Molecular weight
- 140.09
Names & synonyms
2,5-Dihydroxy-1,4-benzoquinone615-94-12,5-dihydroxycyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-p-Benzoquinone, 2,5-dihydroxy-ANILIC ACID0KG5HVB52ZNSC-3843DTXSID4060658RefChem:82862DTXCID9043067210-454-3
Show more names
Dihydroxy-p-quDihydroxy-p-quinonate acid2,5-Dihyroxy-p-benzoquinone2,5-Dihydroxybenzoquinone,98%
2,5-Dihydroxy-p-benzoquinoneMFCD000015982,5-Dihydroxybenzoquinone1760-52-7DHBQ2,5-Dihydroxy-p-quinoneUNII-0KG5HVB52Z2,4-dione, 2,5-dihydroxy-
Database identifiers
- CAS
1760-52-7、615-94-1- PubChem CID
- 69213
- DTXSID
DTXSID4060658- UNII
- 0KG5HVB52Z
- EC Number
- 210-454-3
- Nikkaji
- J110.565E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Physical DescriptionYellow or orange powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 235 °C · 235 °C (dec.)(lit.)
- Boiling point
- 216.56 °C · 216.56°C (rough estimate)
- Density
- 1.4596 · 1.4596 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Powder
- pka
- 1 · pK1:2.71;pK2:5.18 (25°C)
- color
- Ochre to brown
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinone.
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29146990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-: ACTIVE
Applications
Uses2,5-dihydroxy-1,4-benzoquinone dianion, and squarate as bridging ligands in the synthesis and magnetic properties of binuclear iron(III) complexes with oxalate. A Dinuclear 2,5-Dihydroxy-1,4-benzoquinone acts as a bridging ligand Ruthenium(II) Complex with the Dianion.
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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