2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl (CED0184388)

Record Information
Version1.0
Creation Date2026-04-04 02:39:53 UTC
Update Date2026-04-04 02:39:53 UTC
Accession NumberCHEM070884
Identification
Common Name2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl
ClassSmall Molecule
Description
2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl (C18H5N9O18) is a chemical compound found in or released from one recorded source: electrical and electronic equipment used in radio transmission systems. 2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl belongs to the terphenyls, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 635.28 g/mol, 2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl is a heavy molecule. It is further classified as part of the benzenoids superclass.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H5N9O18
Average Molecular Mass635.283 g/mol
Monoisotopic Mass634.975 g/mol
CAS Registry Number51460-84-5
IUPAC NameNot Available
Traditional NameNot Available
SMILES[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)C1=C(C(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChI IdentifierInChI=1S/C18H5N9O18/c28-19(29)6-1-8(21(32)33)14(9(2-6)22(34)35)16-12(25(40)41)5-13(26(42)43)17(18(16)27(44)45)15-10(23(36)37)3-7(20(30)31)4-11(15)24(38)39/h1-5H
InChI KeyDYGJZCCUSXSGBE-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
670.0Log mg/kg[380:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)0.155698
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)0.155698
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)4.9045
Click to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)5.0602
Click to view 3D structureSalicylate synthetase, Irp9Q9X9I8Yersinia enterocoliticaPredicted (SEA)0.233548
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)59.1654
Click to view 3D structureModulator of drug activity AQ8X6S1Escherichia coli O157:H7Predicted (SEA)0.467095
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)2.88042
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)318.559
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)15.4141
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)94.7425
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1203.94
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)742.37
Click to view 3D structurePhosphoethanolamine/phosphocholine phosphataseQ8TCT1HumansPredicted (SEA)12.923
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)567.132
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1178.95
Click to view 3D structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)3.50322
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)762.455
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)977.942
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)1181.13
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)377.802
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)898.536
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2090.17
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)957.0
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)2743.8
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available