4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid (CED0131884)

Record Information

Version

1.0

Creation Date

2026-04-04 22:37:12 UTC

Update Date

2026-08-20 01:45:24 UTC

Accession Number

CHEM084085

Identification

Common Name

4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid

Class

Small Molecule

Description

4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid is an organic compound with the formula C19H10F6O8 and an average molecular weight of 480.27 g/mol. 4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This substance is found in or released from five recorded sources related to electrical and electronic equipment. These sources include antennas, coils, and power cables, as well as superconducting magnets and superconducting coils. Additionally, it is associated with superconductive or hyperconductive conductors cables or transmission lines.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₀F₆O₈

Average Molecular Mass

480.271 g/mol

Monoisotopic Mass

480.028 g/mol

CAS Registry Number

3016-76-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)C1=CC=C(C=C1C(O)=O)C(C1=CC(C(O)=O)=C(C=C1)C(O)=O)(C(F)(F)F)C(F)(F)F

InChI Identifier

InChI=1/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)

InChI Key

APXJLYIVOFARRM-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2249.0	Log mg/kg	[1300:4000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
630	Toys	Recreation & sports surfaces	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Protoporphyrinogen oxidase, mitochondrial	O24164	Nicotiana tabacum	Predicted (SEA)	4.5931
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	132.188
Click to view 3D structure	HTH-type transcriptional regulator MgrA	P0C1S0	Staphylococcus aureus	Predicted (SEA)	4.04816
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	328.368
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	8.01847
Click to view 3D structure	p-hydroxybenzoate hydroxylase	P00438	Pseudomonas fluorescens	Predicted (SEA)	43.8291
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	148.848
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	945.634
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46952	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46953	Rattus norvegicus	Predicted (SEA)	0.622794
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	7.94062
Click to view 3D structure	P2Y purinoceptor 14	Q15391	Humans	Predicted (SEA)	37.1341
Click to view 3D structure	P2Y purinoceptor 14	Q9ESG6	Mus musculus	Predicted (SEA)	11.5217
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	53.7938
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	93.2634
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	701.422
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	579.12
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	108.755
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	7.31783
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	539.884
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	153.285
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	124.948
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	288.354
Click to view 3D structure	Metallo beta-lactamase	Q6TUJ4	Pseudomonas aeruginosa	Predicted (SEA)	9.26406
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	746.185