(4-methoxyphenyl) trifluoromethanesulfonate (CED0011852)

Record Information
Version1.0
Creation Date2026-08-25 00:40:23 UTC
Update Date2026-08-25 00:40:23 UTC
SynCED IDCED0011852
Secondary Accession Numbers
  • CHEM257398
Identification
Common Name(4-methoxyphenyl) trifluoromethanesulfonate
ClassSmall Molecule
Description
(4-methoxyphenyl) trifluoromethanesulfonate is an organic compound with the formula C8H7F3O4S and an average molecular weight of 256.20 g/mol. (4-methoxyphenyl) trifluoromethanesulfonate belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is classified as a benzenoid. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H7F3O4S
Average Molecular Mass256.200 g/mol
Monoisotopic Mass256.002 g/mol
CAS Registry Number66107-29-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H7F3O4S/c1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11/h2-5H,1H3
InChI KeyXSTNIRWDULKNJE-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
273.0 Log mg/kg [150:490]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000506Antennas?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 EquipmentPubChem
CEDs000519Electrodes?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 EquipmentPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.432
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.375
Statistical Significance
0.0172
Supporting Reference Compounds
472
E-value
133.589
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.375
Statistical Significance
0.0159
Supporting Reference Compounds
407
E-value
123.78
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.367
Statistical Significance
0.0315
Supporting Reference Compounds
528
E-value
245.536
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.341
Statistical Significance
0.0171
Supporting Reference Compounds
258
E-value
133.2
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.341
Statistical Significance
0.0141
Supporting Reference Compounds
269
E-value
109.923
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.346
Statistical Significance
0.0283
Supporting Reference Compounds
400
E-value
220.391
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.341
Statistical Significance
0.0268
Supporting Reference Compounds
292
E-value
208.48
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.333
Statistical Significance
0.0211
Supporting Reference Compounds
372
E-value
164.418
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.341
Statistical Significance
0.0207
Supporting Reference Compounds
176
E-value
161.148
Click to view 3D structureAryl hydrocarbon receptorO02747Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.364
Statistical Significance
6.30e-04
Supporting Reference Compounds
7
E-value
4.9045
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.364
Statistical Significance
0.0101
Supporting Reference Compounds
201
E-value
78.6277
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.346
Statistical Significance
0.0156
Supporting Reference Compounds
136
E-value
121.289
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.341
Statistical Significance
0.0223
Supporting Reference Compounds
198
E-value
173.292
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.327
Statistical Significance
0.0537
Supporting Reference Compounds
861
E-value
417.817
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.327
Statistical Significance
0.0686
Supporting Reference Compounds
1103
E-value
534.435
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.341
Statistical Significance
0.0217
Supporting Reference Compounds
200
E-value
169.011
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.327
Statistical Significance
0.0445
Supporting Reference Compounds
524
E-value
346.663
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.333
Statistical Significance
0.0245
Supporting Reference Compounds
332
E-value
191.12
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.364
Statistical Significance
0.0068
Supporting Reference Compounds
88
E-value
52.6261
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.364
Statistical Significance
0.0019
Supporting Reference Compounds
56
E-value
14.8692
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.364
Statistical Significance
0.0083
Supporting Reference Compounds
104
E-value
64.6927
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.364
Statistical Significance
0.0059
Supporting Reference Compounds
106
E-value
45.6196
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.472
Statistical Significance
0.0022
Supporting Reference Compounds
19
E-value
16.8154
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.341
Statistical Significance
0.0223
Supporting Reference Compounds
105
E-value
173.292
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available