7-Amino-4-(trifluoromethyl)-2-benzopyrone (CED0159631)

Record Information

Version

1.0

Creation Date

2026-04-05 03:33:20 UTC

Update Date

2026-08-18 04:06:32 UTC

SynCED ID

CED0159631

Secondary Accession Numbers

CHEM091567

Identification

Common Name

7-Amino-4-(trifluoromethyl)-2-benzopyrone

Class

Small Molecule

Description

7-Amino-4-(trifluoromethyl)-2-benzopyrone is an organic compound with the formula C10H6F3NO2 and an average molecular weight of 229.16 g/mol. 7-Amino-4-(trifluoromethyl)-2-benzopyrone belongs to the coumarins and derivatives, a class of phenylpropanoids and polyketides within the organic compounds. This substance is found in or released from four recorded sources related to electrical and electronic equipment, specifically amplifiers, antennas, discharge lamps, and selectors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₆F₃NO₂

Average Molecular Mass

229.158 g/mol

Monoisotopic Mass

229.035 g/mol

CAS Registry Number

53518-15-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1

InChI Identifier

InChI=1/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2

InChI Key

JBNOVHJXQSHGRL-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0gy9-1490000000-d20b404763ce606b57cf	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-4d964ef77e401fd1b666	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-4d964ef77e401fd1b666	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w30-0590000000-889766a377c4c8592171	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-f017225c21984ca28239	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-f017225c21984ca28239	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-f017225c21984ca28239	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
606.0 Log mg/kg [340:1100]	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
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	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
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000532	Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.	Electrical & Electronic Equipment	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
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
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	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.522 Statistical Significance 0.0038 Supporting Reference Compounds 146 E-value 29.2713
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.5 Statistical Significance 0.013 Supporting Reference Compounds 241 E-value 101.36
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.5 Statistical Significance 0.0225 Supporting Reference Compounds 315 E-value 175.083
Click to view 3D structure	Amine oxidase [flavin-containing] B	P19643	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.522 Statistical Significance 0.0047 Supporting Reference Compounds 77 E-value 36.667
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.357 Statistical Significance 0.0245 Supporting Reference Compounds 372 E-value 190.653
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.357 Statistical Significance 0.0218 Supporting Reference Compounds 332 E-value 169.556
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.326 Statistical Significance 0.037 Supporting Reference Compounds 407 E-value 287.731
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.326 Statistical Significance 0.0615 Supporting Reference Compounds 472 E-value 478.928
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.313 Statistical Significance 0.0226 Supporting Reference Compounds 165 E-value 175.861
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.313 Statistical Significance 0.0256 Supporting Reference Compounds 172 E-value 199.372
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.313 Statistical Significance 0.0118 Supporting Reference Compounds 78 E-value 91.5507
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 3	P37058	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.357 Statistical Significance 8.70e-04 Supporting Reference Compounds 11 E-value 6.77288
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.357 Statistical Significance 0.0448 Supporting Reference Compounds 201 E-value 348.687
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.295 Low confidence Statistical Significance 0.023 Supporting Reference Compounds 157 E-value 178.82
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.313 Statistical Significance 0.0116 Supporting Reference Compounds 70 E-value 90.1494
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.319 Statistical Significance 0.2483 Supporting Reference Compounds 1130 E-value 1933.07
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.295 Low confidence Statistical Significance 0.0447 Supporting Reference Compounds 242 E-value 348.297
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.293 Low confidence Statistical Significance 0.0519 Supporting Reference Compounds 343 E-value 404.349
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.295 Low confidence Statistical Significance 0.026 Supporting Reference Compounds 151 E-value 202.408
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.281 Low confidence Statistical Significance 0.0345 Supporting Reference Compounds 193 E-value 268.813
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.293 Low confidence Statistical Significance 0.1179 Supporting Reference Compounds 406 E-value 917.531
Click to view 3D structure	Immunoglobulin lambda variable 6-57	P01721	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.348 Statistical Significance 5.00e-04 Supporting Reference Compounds 2 E-value 3.89246
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.319 Statistical Significance 0.0136 Supporting Reference Compounds 70 E-value 105.797
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.288 Low confidence Statistical Significance 0.0245 Supporting Reference Compounds 66 E-value 190.731
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 7	Q96RP8	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 17.5939