Tetrahydroxy-1,4-quinone hydrate - ≥96% , CAS No.319-89-1

CAS: 319-89-1 Cat. No.: T397117 Molecular Weight: 172.1(anhy) EC Number: 206-275-5 PubChem CID: 5424
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
HPEK-1 | IDI1_000623 | NCGC00095043-07 | STL453704 | Tetrahydroxy-1,4-benzoquinone Hydrate | BSPBio_000789 | BSPBio_002340 | Tox21_111400_1 | 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione | Tetrahydroxy-p-benzoquinone | 2,5,6-Tetrahydroxy-p-benzoquino
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25mg
T397117-25mg
9
$9.90
100mg
T397117-100mg
7
$13.90
500mg
T397117-500mg
4
$33.90
2.5g
T397117-2.5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$119.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
HPEK-1 | IDI1_000623 | NCGC00095043-07 | STL453704 | Tetrahydroxy-1, 4-benzoquinone Hydrate | BSPBio_000789 | BSPBio_002340 | Tox21_111400_1 | 2, 3, 5, 6-tetrahydroxycyclohexa-2, 5-diene-1, 4-dione | Tetrahydroxy-p-benzoquinone | 2, 5, 6-Tetrahydroxy-p-benzoquino
Specifications & Purity
≥96%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Pubchem Sid504750889
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750889
Canonical SmilesC1(=C(C(=O)C(=C(C1=O)O)O)O)O
IUPAC Name2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione
InChIKeyDGQOCLATAPFASR-UHFFFAOYSA-N
INCHI1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H
Isomeric SMILES C1(=C(C(=O)C(=C(C1=O)O)O)O)O
Alternate CAS 123334-16-7、
PubChem CID 5424
Molecular Weight 172.1(anhy)

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct ParentP-benzoquinones
Alternative Parents Vinylogous acids  Enediols  Polyols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents P-benzoquinone - Vinylogous acid - Enediol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

10 results found

Lot NumberCertificate TypeDateItem
E2330613Certificate of AnalysisMar 11, 2026 T397117
E2330614Certificate of AnalysisMar 11, 2026 T397117
E2330618Certificate of AnalysisMar 11, 2026 T397117
E2330625Certificate of AnalysisMar 11, 2026 T397117
L2515552Certificate of AnalysisOct 27, 2025 T397117
L2515553Certificate of AnalysisOct 27, 2025 T397117
L2515554Certificate of AnalysisOct 27, 2025 T397117
K2102588Certificate of AnalysisAug 19, 2024 T397117
E2330619Certificate of AnalysisMay 12, 2023 T397117
E2330620Certificate of AnalysisMay 12, 2023 T397117
Chemical and Physical Properties
Boil Point(°C)370.6°C
Melt Point(°C)300°C
Molecular Weight172.090 g/mol
XLogP3-0.600
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass172.001 Da
Monoisotopic Mass172.001 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity272.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Leiqian Zhang, Lingfeng Ge, Guanjie He, Zhihong Tian, Jiajia Huang, Jingtao Wang, Dan J.L. Brett, Johan Hofkens, Feili Lai, Tianxi Liu.  (2021)  Tuning the Linkers in Polymer-Based Cathodes to Realize High Sulfur Content and High-Performance Potassium–Sulfur Batteries.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c05283]
Solution Calculators
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