Tetrahydroxy-p-benzoquinone
Basic information
- CAS
319-89-1- Standard SMILES
O=C1C(O)=C(O)C(=O)C(O)=C1O- InChIKey
DGQOCLATAPFASR-UHFFFAOYSA-N- Molecular formula
- C6H4O6
- Average molar mass
- 172.09 g/mol
- Monoisotopic mass
- 172.00078784
Overview
Tetrahydroxy-1,4-benzoquinone is a hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471). It has a role as a keratolytic drug.
Names & identifiers
- Preferred name
- Tetrahydroxy-p-benzoquinone
- IUPAC
- 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione
- English name
- Tetrahydroxyquinone
- Molecular formula
- C6H4O6
- Molecular weight
- 172.09
Names & synonyms
tetroquinone319-89-12,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dioneTetrahydroxy-p-benzoquinoneTetroquinonaTetrahydroxy-p-quinoneHPEK-1TetroquinonumTetrahydroxyparabenzoquinoneTetrochinone2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-2,3,5,6-Tetrahydroxy-p-benzoquinone
Show more names
TETRAHYDROXY-1,4-QUINONE2,3,5,6-Tetrahydroxy-1,4-benzoquinoneKeloxDK7415TerasinTetrahydroxy-1
NSC-112931DTXSID9045897U7L4P6H0SUDTXCID7025897RefChem:1099699206-275-5TetrahydroxyquinoneTetrahydroxy-1,4-benzoquinone
Database identifiers
- CAS
319-89-1- PubChem CID
- 5424
- DTXSID
DTXSID9045897- ChEMBL
CHEMBL1329029- ChEBI
CHEBI:137472- UNII
- U7L4P6H0SU
- EC Number
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 280 ° · 280°
- Boiling point
- 262.37 °C · 262.37°C (rough estimate)
- Density
- 1.6695 · 1.6695 (rough estimate)
- refractive index
- 1.754 · 1.7540 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMF: slightly soluble; DMSO: slightly soluble; PBS (pH 7.2): 1 mg/ml
- form
- A crystalline solid
- pka
- 2.52 · 2.52±0.50(Predicted)
- color
- Light brown to black
- Stability
- Stable. Incompatible with strong oxidizing agents, strong bases.
- CAS DataBase Reference
- 319 · 319-89-1(CAS DataBase Reference)
- FDA UNII
- 7 L4P6H0SU · U7L4P6H0SU
- NIST Chemistry Reference
- Tetrahydroxy quinone(319-89-1)
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy- (319-89-1)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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, 2,3,5,6-tetrahydroxy-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-: ACTIVE
Applications
Usesanthelmintic
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Tetrahydroxy-1,4-benzoquinone is a hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471). It has a role as a keratolytic drug.
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Compound notes
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