Zinc bis(2,4,5-trichlorophenoxide) (CED0104228)

Record Information

Version

1.0

Creation Date

2026-04-05 17:36:19 UTC

Update Date

2026-04-05 17:36:19 UTC

SynCED ID

CED0104228

Secondary Accession Numbers

CHEM105018

Identification

Common Name

Zinc bis(2,4,5-trichlorophenoxide)

Class

Small Molecule

Description

Zinc bis(2,4,5-trichlorophenoxide) belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the superclass of benzenoids and has the chemical formula C6H3Cl3O.1/2Zn.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₃Cl₃O.₁/₂Zn

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/2C6H3Cl3O.Zn/c2*7-3-1-5(9)6(10)2-4(3)8;/h2*1-2,10H;/q;;+2/p-2

InChI Key

LETUJWXZVSYCKL-UHFFFAOYSA-L

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
901.0 Log mg/kg [510:1600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.4193 Supporting Reference Compounds 593 E-value 3264.45
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 1 E-value 37.1341
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.25 Low confidence Statistical Significance 0.6548 Supporting Reference Compounds 763 E-value 5097.26
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.3395 Supporting Reference Compounds 372 E-value 2643.29
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.3981 Supporting Reference Compounds 472 E-value 3098.87
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.5356 Supporting Reference Compounds 506 E-value 4169.76
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.4692 Supporting Reference Compounds 451 E-value 3652.45
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.25 Low confidence Statistical Significance 0.6379 Supporting Reference Compounds 823 E-value 4965.85
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.25 Low confidence Statistical Significance 0.2244 Supporting Reference Compounds 193 E-value 1747.25
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.25 Low confidence Statistical Significance 0.2089 Supporting Reference Compounds 165 E-value 1626.04
Click to view 3D structure	Aryl hydrocarbon receptor	P35869	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.333 Statistical Significance 0.0648 Supporting Reference Compounds 42 E-value 504.152
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.25 Low confidence Statistical Significance 0.5839 Supporting Reference Compounds 487 E-value 4546.01
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.25 Low confidence Statistical Significance 0.4671 Supporting Reference Compounds 386 E-value 3636.42
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.25 Low confidence Statistical Significance 0.8427 Supporting Reference Compounds 825 E-value 6560.67
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.226 Low confidence Statistical Significance 0.4224 Supporting Reference Compounds 332 E-value 3288.2
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.226 Low confidence Statistical Significance 0.457 Supporting Reference Compounds 407 E-value 3557.55
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.216 Low confidence Statistical Significance 0.4049 Supporting Reference Compounds 297 E-value 3151.88
Click to view 3D structure	O-phosphoserine sulfhydrylase	P9WP53	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0423 Supporting Reference Compounds 1 E-value 329.302
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.25 Low confidence Statistical Significance 0.5458 Supporting Reference Compounds 425 E-value 4249.17
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.25 Low confidence Statistical Significance 0.7634 Supporting Reference Compounds 686 E-value 5943.24
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.25 Low confidence Statistical Significance 0.7942 Supporting Reference Compounds 955 E-value 6183.1
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 1	P35439	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.333 Statistical Significance 0.0138 Supporting Reference Compounds 22 E-value 107.121
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.226 Low confidence Statistical Significance 0.3129 Supporting Reference Compounds 172 E-value 2435.75
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.25 Low confidence Statistical Significance 0.5794 Supporting Reference Compounds 391 E-value 4510.27
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.216 Low confidence Statistical Significance 0.9429 Supporting Reference Compounds 1498 E-value 7340.71