1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide (CED0149246)

Record Information
Version1.0
Creation Date2026-08-18 21:12:36 UTC
Update Date2026-08-18 21:12:36 UTC
Accession NumberCHEM169369
Identification
Common Name1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide
ClassSmall Molecule
Description
1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide is an organic compound with the formula C12H4N8O8 and an average molecular weight of 388.21 g/mol. 1,3,7,9-tetranitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide belongs to the benzotriazoles, a class of organoheterocyclic compounds within the organic compounds. This substance has been identified in or released from one recorded source: electrical and electronic equipment, specifically television systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H4N8O8
Average Molecular Mass388.210 g/mol
Monoisotopic Mass388.015 g/mol
CAS Registry Number25243-36-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H4N8O8/c21-17(22)5-1-7-11(9(3-5)19(25)26)13-16-8-2-6(18(23)24)4-10(20(27)28)12(8)14-15(7)16/h1-4H
InChI KeyMNUJHDPQSAMAAM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
243.0Log mg/kg[140:430]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureHTH-type transcriptional regulator ExsAP26993Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)114.905
Click to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)0.155698
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1113.17
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)789.858
Click to view 3D structureGlutamate receptor-interacting protein 1P97879Rattus norvegicusPredicted (SEA)3.73676
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)12.8451
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)1755.27
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)576.318
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)2985.83
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)5203.36
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)1374.66
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)2102.01
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)4911.9
Click to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)55.3508
Death-associated protein kinase 3 structureClick to view 3D structureDeath-associated protein kinase 3O43293HumansPredicted (SEA)4878.81
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)54.8059
Click to view 3D structurePhosphoethanolamine/phosphocholine phosphataseQ8TCT1HumansPredicted (SEA)122.145
Krueppel-like factor 10 structureClick to view 3D structureKrueppel-like factor 10Q13118HumansPredicted (SEA)160.214
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)2273.59
G protein-coupled receptor kinase 5 structureClick to view 3D structureG protein-coupled receptor kinase 5P34947HumansPredicted (SEA)4551.53
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)3434.16
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)6545.41
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)6567.05
Click to view 3D structureModulator of drug activity AQ8X6S1Escherichia coli O157:H7Predicted (SEA)21.0971
Click to view 3D structureNitric oxide synthase 3P70313Mus musculusPredicted (SEA)115.762
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available