Disodium 2,2'-methylenebis[4,6-dichlorophenolate] (CED0037222)

Record Information

Version

1.0

Creation Date

2026-04-05 23:42:59 UTC

Update Date

2026-04-05 23:42:59 UTC

SynCED ID

CED0037222

Secondary Accession Numbers

CHEM112447

Identification

Common Name

Disodium 2,2'-methylenebis[4,6-dichlorophenolate]

Class

Small Molecule

Description

Disodium 2,2'-methylenebis[4,6-dichlorophenolate] belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C13H8Cl4O2.2Na.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₈Cl₄O₂.₂Na

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/C13H8Cl4O2.2Na/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19;;/h2-5,18-19H,1H2;;/q;2*+1/p-2

InChI Key

HWMSTPYCOZSCRP-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
445.0 Log mg/kg [250:790]	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
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
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	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	Thromboxane-A synthase	P24557	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.281 Low confidence Statistical Significance 0.0521 Supporting Reference Compounds 66 E-value 405.439
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.281 Low confidence Statistical Significance 0.4559 Supporting Reference Compounds 487 E-value 3548.91
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.281 Low confidence Statistical Significance 0.3565 Supporting Reference Compounds 391 E-value 2775.17
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.281 Low confidence Statistical Significance 0.2111 Supporting Reference Compounds 118 E-value 1643.4
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.281 Low confidence Statistical Significance 0.6536 Supporting Reference Compounds 763 E-value 5088.46
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.281 Low confidence Statistical Significance 0.6168 Supporting Reference Compounds 823 E-value 4801.66
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.281 Low confidence Statistical Significance 0.6127 Supporting Reference Compounds 686 E-value 4769.67
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.281 Low confidence Statistical Significance 0.4013 Supporting Reference Compounds 386 E-value 3124.4
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.281 Low confidence Statistical Significance 0.8075 Supporting Reference Compounds 1301 E-value 6286.48
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.281 Low confidence Statistical Significance 0.8105 Supporting Reference Compounds 1130 E-value 6309.45
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.281 Low confidence Statistical Significance 0.6939 Supporting Reference Compounds 861 E-value 5401.88
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.242 Low confidence Statistical Significance 0.6282 Supporting Reference Compounds 593 E-value 4890.18
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.281 Low confidence Statistical Significance 0.586 Supporting Reference Compounds 451 E-value 4562.12
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.281 Low confidence Statistical Significance 0.7476 Supporting Reference Compounds 668 E-value 5819.85
Click to view 3D structure	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.281 Low confidence Statistical Significance 0.1663 Supporting Reference Compounds 63 E-value 1295.02
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.222 Low confidence Statistical Significance 0.7769 Supporting Reference Compounds 955 E-value 6048.03
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.281 Low confidence Statistical Significance 0.694 Supporting Reference Compounds 506 E-value 5403.05
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.242 Low confidence Statistical Significance 0.88 Supporting Reference Compounds 825 E-value 6850.89
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.281 Low confidence Statistical Significance 0.5479 Supporting Reference Compounds 340 E-value 4265.05
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.218 Low confidence Statistical Significance 0.9261 Supporting Reference Compounds 1245 E-value 7209.54
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.281 Low confidence Statistical Significance 0.5479 Supporting Reference Compounds 303 E-value 4265.44
Click to view 3D structure	Subtilisin Carlsberg	P00780	Bacillus licheniformis	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.281 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 2 E-value 10.1204
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.281 Low confidence Statistical Significance 0.6664 Supporting Reference Compounds 541 E-value 5187.87
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.242 Low confidence Statistical Significance 0.6216 Supporting Reference Compounds 425 E-value 4838.95
Click to view 3D structure	Aryl hydrocarbon receptor	P35869	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.214 Low confidence Statistical Significance 0.1173 Supporting Reference Compounds 42 E-value 912.938