Triiodoacetic acid (CED0037681)

Record Information

Version

1.0

Creation Date

2026-04-04 19:15:27 UTC

Update Date

2026-04-04 19:15:27 UTC

SynCED ID

CED0037681

Secondary Accession Numbers

CHEM079017

Identification

Common Name

Triiodoacetic acid

Class

Small Molecule

Description

Triiodoacetic acid is an organic compound with the chemical formula C2HI3O2 and an average molecular weight of 437.74 g/mol. Triiodoacetic acid belongs to the alpha-halocarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from three recorded sources associated with electrical and electronic equipment. These sources specifically include auxiliary devices, superconducting magnets and superconducting coils, as well as superconductive or hyperconductive conductors cables or transmission lines.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂HI₃O₂

Average Molecular Mass

437.741 g/mol

Monoisotopic Mass

437.711 g/mol

CAS Registry Number

594-68-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)C(I)(I)I

InChI Identifier

InChI=1/C2HI3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChI Key

WWHZZMHPRRFPGP-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

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
CEDs000507	Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.	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
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	PubChem
CEDs000536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.	Electrical & Electronic Equipment	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
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	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.364 Statistical Significance 0.3882 Supporting Reference Compounds 372 E-value 3022.03
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 5.70e-04 Supporting Reference Compounds 1 E-value 4.43741
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.19 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 2 E-value 16.4262
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.19 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.7737
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.267 Low confidence Statistical Significance 0.2406 Supporting Reference Compounds 41 E-value 1873.36
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.25 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 9 E-value 25.3788
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.364 Statistical Significance 0.0666 Supporting Reference Compounds 43 E-value 518.32
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0044 Supporting Reference Compounds 1 E-value 33.9423
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.1301 Supporting Reference Compounds 1 E-value 1012.74
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.182 Low confidence Statistical Significance 0.7757 Supporting Reference Compounds 332 E-value 6038.45
Click to view 3D structure	Succinate receptor 1	Q99MT6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.267 Low confidence Statistical Significance 0.0072 Supporting Reference Compounds 2 E-value 55.8179
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.182 Low confidence Statistical Significance 0.856 Supporting Reference Compounds 472 E-value 6664.05
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.182 Low confidence Statistical Significance 0.8165 Supporting Reference Compounds 407 E-value 6356.08
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.176 Low confidence Statistical Significance 0.7213 Supporting Reference Compounds 127 E-value 5615.5
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.182 Low confidence Statistical Significance 0.7519 Supporting Reference Compounds 242 E-value 5853.41
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.182 Low confidence Statistical Significance 0.6804 Supporting Reference Compounds 172 E-value 5297.09
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.214 Low confidence Statistical Significance 0.6879 Supporting Reference Compounds 85 E-value 5355.33
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.214 Low confidence Statistical Significance 0.6535 Supporting Reference Compounds 68 E-value 5087.45
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.182 Low confidence Statistical Significance 0.4928 Supporting Reference Compounds 45 E-value 3836.41
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.2 Low confidence Statistical Significance 0.2943 Supporting Reference Compounds 40 E-value 2291.49
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.2 Low confidence Statistical Significance 0.3343 Supporting Reference Compounds 55 E-value 2602.42
Click to view 3D structure	Lysine-specific demethylase 4E	B2RXH2	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.182 Low confidence Statistical Significance 0.4579 Supporting Reference Compounds 39 E-value 3565.1
Click to view 3D structure	Prolyl 4-hydroxylase subunit alpha-1	P54001	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.182 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 2 E-value 41.5715
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.182 Low confidence Statistical Significance 0.7213 Supporting Reference Compounds 151 E-value 5615.65