[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid (CED0217403)

Record Information

Version

1.0

Creation Date

2026-08-25 01:55:28 UTC

Update Date

2026-08-25 01:55:28 UTC

SynCED ID

CED0217403

Secondary Accession Numbers

CHEM258126

Identification

Common Name

[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid

Class

Small Molecule

Description

[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H8BF3O3 and an average molecular weight of 219.96 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₈BF₃O₃

Average Molecular Mass

219.960 g/mol

Monoisotopic Mass

220.052 g/mol

CAS Registry Number

312936-89-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3

InChI Key

UCNRYDKUBYQIOW-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
819.0 Log mg/kg [460:1500]	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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	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	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.346 Statistical Significance 0.1488 Supporting Reference Compounds 1301 E-value 1158.24
Click to view 3D structure	Calcium-activated potassium channel subunit alpha-1	Q62976	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.321 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q15858	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.313 Statistical Significance 0.0244 Supporting Reference Compounds 125 E-value 190.341
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.314 Statistical Significance 0.0673 Supporting Reference Compounds 472 E-value 524.003
Click to view 3D structure	Receptor-interacting serine/threonine-protein kinase 2	O43353	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.353 Statistical Significance 0.0523 Supporting Reference Compounds 202 E-value 406.84
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.438 Statistical Significance 0.019 Supporting Reference Compounds 102 E-value 148.303
Click to view 3D structure	Beta-lactamase	P00811	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.438 Statistical Significance 5.60e-04 Supporting Reference Compounds 35 E-value 4.35956
Click to view 3D structure	Sodium- and chloride-dependent glycine transporter 1	Q28039	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.273 Low confidence Statistical Significance 3.90e-04 Supporting Reference Compounds 1 E-value 3.03612
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.302 Statistical Significance 0.1396 Supporting Reference Compounds 823 E-value 1086.93
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.302 Statistical Significance 0.1022 Supporting Reference Compounds 541 E-value 795.541
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.302 Statistical Significance 0.1795 Supporting Reference Compounds 955 E-value 1397.63
Click to view 3D structure	Protoporphyrinogen oxidase, mitochondrial	O24164	Nicotiana tabacum	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.268 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.2223
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q62205	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.313 Statistical Significance 0.0157 Supporting Reference Compounds 33 E-value 122.145
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.367 Statistical Significance 0.014 Supporting Reference Compounds 77 E-value 109.3
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.353 Statistical Significance 0.282 Supporting Reference Compounds 1130 E-value 2195.74
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.353 Statistical Significance 0.2497 Supporting Reference Compounds 927 E-value 1943.9
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.273 Low confidence Statistical Significance 0.1463 Supporting Reference Compounds 562 E-value 1139.01
Click to view 3D structure	Sodium channel protein type 1 subunit alpha	P35498	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.313 Statistical Significance 0.0168 Supporting Reference Compounds 44 E-value 131.02
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.276 Low confidence Statistical Significance 0.3403 Supporting Reference Compounds 1660 E-value 2649.29
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.29 Low confidence Statistical Significance 0.0845 Supporting Reference Compounds 332 E-value 657.748
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.29 Low confidence Statistical Significance 0.0958 Supporting Reference Compounds 372 E-value 745.484
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.29 Low confidence Statistical Significance 0.0579 Supporting Reference Compounds 242 E-value 451.058
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.286 Low confidence Statistical Significance 0.0087 Supporting Reference Compounds 71 E-value 67.7288
Click to view 3D structure	Telomerase reverse transcriptase	Q673L6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.378
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.286 Low confidence Statistical Significance 0.4492 Supporting Reference Compounds 1538 E-value 3496.99