1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)- (CED0172083)

Record Information

Version

1.0

Creation Date

2026-04-04 01:26:19 UTC

Update Date

2026-08-19 08:31:02 UTC

SynCED ID

CED0172083

Secondary Accession Numbers

CHEM070090

Identification

Common Name

1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-

Class

Small Molecule

Description

1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)- is an organic compound with the chemical formula C14H9Cl6N3O1 and an average molecular weight of 447.95 g/mol. 1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)- belongs to the anisoles, a subclass of phenol ethers within the organic compounds. The compound is found in or released from four recorded sources. These include items from the building and construction sector, specifically ladders, as well as electrical and electronic equipment. Within the latter category, the compound is associated with gas filled discharge tubes with solid cathode, thin magnetic films, and discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₉Cl₆N₃O₁

Average Molecular Mass

447.950 g/mol

Monoisotopic Mass

444.888 g/mol

CAS Registry Number

42573-57-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=CC=C(C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C=C1

InChI Identifier

InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+

InChI Key

MCNPOZMLKGDJGP-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
1428.0 Log mg/kg [800:2500]	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
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000498	Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.	Building & Construction	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000523	Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.	Electrical & Electronic Equipment	PubChem
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	PubChem
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	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 0.472 Statistical Significance 0.0018 Supporting Reference Compounds 104 E-value 13.7015
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.472 Statistical Significance 0.0042 Supporting Reference Compounds 201 E-value 32.4631
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.472 Statistical Significance 8.00e-04 Supporting Reference Compounds 55 E-value 6.22794
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.472 Statistical Significance 0.0045 Supporting Reference Compounds 182 E-value 35.3435
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.472 Statistical Significance 0.0225 Supporting Reference Compounds 793 E-value 175.239
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.472 Statistical Significance 0.0073 Supporting Reference Compounds 201 E-value 56.7521
Click to view 3D structure	Nuclear factor erythroid 2-related factor 2	Q16236	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.415 Statistical Significance 0.0012 Supporting Reference Compounds 19 E-value 9.03051
Click to view 3D structure	Ribosyldihydronicotinamide dehydrogenase [quinone]	P16083	Humans	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.425 Statistical Significance 0.0019 Supporting Reference Compounds 61 E-value 14.48
Click to view 3D structure	Transcription factor p65	Q04206	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.436 Statistical Significance 7.40e-04 Supporting Reference Compounds 27 E-value 5.76084
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.381 Statistical Significance 0.0373 Supporting Reference Compounds 553 E-value 290.767
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.472 Statistical Significance 0.0039 Supporting Reference Compounds 106 E-value 30.5169
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.381 Statistical Significance 0.0303 Supporting Reference Compounds 315 E-value 235.65
Click to view 3D structure	Aryl hydrocarbon receptor	P35869	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.474 Statistical Significance 8.40e-04 Supporting Reference Compounds 42 E-value 6.53933
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.472 Statistical Significance 0.0313 Supporting Reference Compounds 139 E-value 243.357
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.37 Statistical Significance 0.2134 Supporting Reference Compounds 1245 E-value 1661.61
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.333 Statistical Significance 0.0275 Supporting Reference Compounds 126 E-value 214.397
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.37 Statistical Significance 0.2691 Supporting Reference Compounds 1538 E-value 2094.69
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.341 Statistical Significance 0.1653 Supporting Reference Compounds 906 E-value 1286.85
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.366 Statistical Significance 0.0186 Supporting Reference Compounds 136 E-value 144.955
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.37 Statistical Significance 0.1446 Supporting Reference Compounds 825 E-value 1125.78
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.381 Statistical Significance 0.0066 Supporting Reference Compounds 29 E-value 51.3026
Click to view 3D structure	Aryl hydrocarbon receptor	O02747	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.433 Applicability Domain 0.474 Statistical Significance 7.00e-05 Supporting Reference Compounds 7 E-value 0.544945
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.396 Applicability Domain 0.472 Statistical Significance 0.002 Supporting Reference Compounds 88 E-value 15.4141
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.396 Applicability Domain 0.472 Statistical Significance 0.0015 Supporting Reference Compounds 77 E-value 11.7552
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 0.472 Statistical Significance 4.40e-04 Supporting Reference Compounds 56 E-value 3.42537