2,6-dichloro-4-nitrobenzenediazonium (CED0194965)

Record Information
Version1.0
Creation Date2026-08-23 08:17:59 UTC
Update Date2026-08-23 08:17:59 UTC
SynCED IDCED0194965
Secondary Accession Numbers
  • CHEM229727
Identification
Common Name2,6-dichloro-4-nitrobenzenediazonium
ClassSmall Molecule
Description
2,6-dichloro-4-nitrobenzenediazonium belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C6H2Cl2N3O2+ and an average molecular weight of 219.00 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H2Cl2N3O2+
Average Molecular Mass219.000 g/mol
Monoisotopic Mass217.952 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H2Cl2N3O2/c7-4-1-3(11(12)13)2-5(8)6(4)10-9/h1-2H/q+1
InChI KeyLHBLJFRXJYKYNM-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1447.0 Log mg/kg [810:2600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.313
Statistical Significance
7.70e-04
Supporting Reference Compounds
1
E-value
5.99439
Thioredoxin reductase structureClick to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.40772
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseQ81RP3Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.28 Low confidence
Statistical Significance
0.0032
Supporting Reference Compounds
1
E-value
25.301
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0752
Supporting Reference Compounds
296
E-value
585.504
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.308
Statistical Significance
0.001
Supporting Reference Compounds
2
E-value
7.94062
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0642
Supporting Reference Compounds
205
E-value
499.636
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1666
Supporting Reference Compounds
472
E-value
1297.12
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.256 Low confidence
Statistical Significance
0.2018
Supporting Reference Compounds
407
E-value
1571.0
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.268 Low confidence
Statistical Significance
0.0984
Supporting Reference Compounds
125
E-value
765.803
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.255 Low confidence
Statistical Significance
0.2436
Supporting Reference Compounds
425
E-value
1896.17
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0644
Supporting Reference Compounds
111
E-value
501.349
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.245 Low confidence
Statistical Significance
0.0949
Supporting Reference Compounds
117
E-value
738.556
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.25 Low confidence
Statistical Significance
0.1815
Supporting Reference Compounds
201
E-value
1412.73
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.267 Low confidence
Statistical Significance
0.1231
Supporting Reference Compounds
125
E-value
958.168
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0672
Supporting Reference Compounds
58
E-value
522.991
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.246 Low confidence
Statistical Significance
0.2425
Supporting Reference Compounds
343
E-value
1887.61
Subtilisin Carlsberg structureClick to view 3D structureSubtilisin CarlsbergP00780Bacillus licheniformisPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.289 Low confidence
Statistical Significance
3.60e-04
Supporting Reference Compounds
2
E-value
2.80257
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.343
Statistical Significance
0.0053
Supporting Reference Compounds
15
E-value
41.6493
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.313
Statistical Significance
0.6551
Supporting Reference Compounds
1158
E-value
5100.14
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1664
Supporting Reference Compounds
165
E-value
1295.8
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.234 Low confidence
Statistical Significance
0.2503
Supporting Reference Compounds
166
E-value
1948.8
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.313
Statistical Significance
0.7196
Supporting Reference Compounds
1022
E-value
5601.72
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.241 Low confidence
Statistical Significance
0.2074
Supporting Reference Compounds
118
E-value
1614.52
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.293 Low confidence
Statistical Significance
0.6791
Supporting Reference Compounds
807
E-value
5286.82
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available