(1z)-3,5-dichloro-n-hydroxybenzenecarboximidoyl chloride (CED0204299)

Record Information

Version

1.0

Creation Date

2026-08-24 00:55:49 UTC

Update Date

2026-08-24 00:55:49 UTC

SynCED ID

CED0204299

Secondary Accession Numbers

CHEM241530

Identification

Common Name

(1z)-3,5-dichloro-n-hydroxybenzenecarboximidoyl chloride

Class

Small Molecule

Description

(1z)-3,5-dichloro-n-hydroxybenzenecarboximidoyl chloride belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C7H4Cl3NO and an average molecular weight of 224.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₄Cl₃NO

Average Molecular Mass

224.500 g/mol

Monoisotopic Mass

222.936 g/mol

CAS Registry Number

677727-73-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H4Cl3NO/c8-5-1-4(7(10)11-12)2-6(9)3-5/h1-3,12H/b11-7-

InChI Key

MISZEFQJRDIUPL-XFFZJAGNSA-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
660.0 Log mg/kg [370:1200]	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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	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	Calpain-2 catalytic subunit	P43367	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.258 Low confidence Statistical Significance 0.3174 Supporting Reference Compounds 63 E-value 2470.7
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.258 Low confidence Statistical Significance 0.8983 Supporting Reference Compounds 668 E-value 6993.43
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.258 Low confidence Statistical Significance 0.8643 Supporting Reference Compounds 506 E-value 6728.43
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.213 Low confidence Statistical Significance 0.753 Supporting Reference Compounds 425 E-value 5862.05
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.258 Low confidence Statistical Significance 0.947 Supporting Reference Compounds 1301 E-value 7372.48
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.208 Low confidence Statistical Significance 0.2888 Supporting Reference Compounds 104 E-value 2248.29
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.19 Low confidence Statistical Significance 0.9787 Supporting Reference Compounds 1538 E-value 7619.49
Click to view 3D structure	Uracil-DNA glycosylase	P20536	Vaccinia virus (strain Copenhagen) (VACV)	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0132 Supporting Reference Compounds 1 E-value 103.15
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.214 Low confidence Statistical Significance 0.9605 Supporting Reference Compounds 825 E-value 7477.42
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.2 Low confidence Statistical Significance 0.9327 Supporting Reference Compounds 1103 E-value 7261.31
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.258 Low confidence Statistical Significance 0.6202 Supporting Reference Compounds 174 E-value 4828.05
Click to view 3D structure	Thromboxane-A synthase	P24557	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.258 Low confidence Statistical Significance 0.3896 Supporting Reference Compounds 66 E-value 3033.08
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.258 Low confidence Statistical Significance 0.9261 Supporting Reference Compounds 861 E-value 7209.54
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.258 Low confidence Statistical Significance 0.7125 Supporting Reference Compounds 343 E-value 5546.83
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase A	P10111	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.282 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 1 E-value 38.224
Click to view 3D structure	Glutamine synthetase, chloroplastic	P25462	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 2.50e-04 Supporting Reference Compounds 1 E-value 1.94623
Click to view 3D structure	Dihydroneopterin aldolase	P56740	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0297 Supporting Reference Compounds 1 E-value 231.446
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0119 Supporting Reference Compounds 1 E-value 92.8741
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.22 Low confidence Statistical Significance 0.9506 Supporting Reference Compounds 1498 E-value 7400.5
Click to view 3D structure	Serpin H1	P50454	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 29.1935
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.216 Low confidence Statistical Significance 0.9454 Supporting Reference Compounds 1130 E-value 7359.55
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.258 Low confidence Statistical Significance 0.9202 Supporting Reference Compounds 1130 E-value 7163.61
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.258 Low confidence Statistical Significance 0.8883 Supporting Reference Compounds 763 E-value 6915.19
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.258 Low confidence Statistical Significance 0.882 Supporting Reference Compounds 686 E-value 6866.46
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1H	O95180	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.216 Low confidence Statistical Significance 0.5294 Supporting Reference Compounds 90 E-value 4121.03