[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate (CED0068436)

Record Information

Version

1.0

Creation Date

2026-08-26 20:31:57 UTC

Update Date

2026-08-26 20:31:57 UTC

SynCED ID

CED0068436

Secondary Accession Numbers

CHEM276420

Identification

Common Name

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate

Class

Small Molecule

Description

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] ethyl methyl phosphate belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass. The compound has the formula C11H12Cl3O4P and an average molecular weight of 345.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₂Cl₃O₄P

Average Molecular Mass

Not Available

Monoisotopic Mass

343.954 g/mol

CAS Registry Number

35996-61-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl

InChI Identifier

InChI=1S/C11H12Cl3O4P/c1-3-17-19(15,16-2)18-11(7-12)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3

InChI Key

JEEJELVGBADFIT-UHFFFAOYSA-N

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
30.0 Log mg/kg [20:53]	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	Description	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	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
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	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem

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	Phosphatidylcholine transfer protein	Q9UKL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.279 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 1 E-value 28.2593
Click to view 3D structure	Probable G-protein coupled receptor 27	Q9NS67	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.274 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 2 E-value 71.3099
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.288 Low confidence Statistical Significance 0.151 Supporting Reference Compounds 472 E-value 1175.45
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.288 Low confidence Statistical Significance 0.1242 Supporting Reference Compounds 407 E-value 967.277
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.27 Low confidence Statistical Significance 0.4789 Supporting Reference Compounds 1245 E-value 3728.51
Click to view 3D structure	Glycoprotein G	Q9IH62	Henipavirus nipahense	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 40.0924
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.346 Statistical Significance 0.0093 Supporting Reference Compounds 42 E-value 72.7112
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.27 Low confidence Statistical Significance 0.5298 Supporting Reference Compounds 1130 E-value 4124.45
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.288 Low confidence Statistical Significance 0.1665 Supporting Reference Compounds 372 E-value 1296.58
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.288 Low confidence Statistical Significance 0.1504 Supporting Reference Compounds 332 E-value 1170.7
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.27 Low confidence Statistical Significance 0.6538 Supporting Reference Compounds 1538 E-value 5090.17
Click to view 3D structure	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.267 Low confidence Statistical Significance 0.0373 Supporting Reference Compounds 63 E-value 290.689
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.346 Statistical Significance 0.0383 Supporting Reference Compounds 46 E-value 297.851
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.262 Low confidence Statistical Significance 0.2115 Supporting Reference Compounds 425 E-value 1646.82
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.259 Low confidence Statistical Significance 0.5212 Supporting Reference Compounds 825 E-value 4057.5
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.262 Low confidence Statistical Significance 0.1443 Supporting Reference Compounds 226 E-value 1123.44
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.262 Low confidence Statistical Significance 0.1445 Supporting Reference Compounds 227 E-value 1125.08
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.25 Low confidence Statistical Significance 0.4518 Supporting Reference Compounds 742 E-value 3517.15
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.278 Low confidence Statistical Significance 0.2696 Supporting Reference Compounds 406 E-value 2099.13
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.346 Statistical Significance 0.0212 Supporting Reference Compounds 34 E-value 164.962
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.346 Statistical Significance 0.056 Supporting Reference Compounds 58 E-value 436.111
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.254 Low confidence Statistical Significance 0.2924 Supporting Reference Compounds 487 E-value 2276.54
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.25 Low confidence Statistical Significance 0.4886 Supporting Reference Compounds 763 E-value 3804.02
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.25 Low confidence Statistical Significance 0.5944 Supporting Reference Compounds 1157 E-value 4627.44
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.25 Low confidence Statistical Significance 0.5267 Supporting Reference Compounds 906 E-value 4100.24