2-bromo-1-(2-hydroxyphenyl)ethanone (CED0216516)

Record Information
Version1.0
Creation Date2026-08-24 23:48:13 UTC
Update Date2026-08-24 23:48:13 UTC
SynCED IDCED0216516
Secondary Accession Numbers
  • CHEM256905
Identification
Common Name2-bromo-1-(2-hydroxyphenyl)ethanone
ClassSmall Molecule
Description
2-bromo-1-(2-hydroxyphenyl)ethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C8H7BrO2 and an average molecular weight of 215.04 g/mol. This substance is further classified as an organic oxygen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H7BrO2
Average Molecular Mass215.040 g/mol
Monoisotopic Mass213.963 g/mol
CAS Registry Number2491-36-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
InChI KeySGPKEYSZPHMVNI-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
710.0 Log mg/kg [400:1300]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
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.538
Statistical Significance
0.0101
Supporting Reference Compounds
472
E-value
79.017
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.538
Statistical Significance
0.0147
Supporting Reference Compounds
407
E-value
114.438
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.538
Statistical Significance
0.0128
Supporting Reference Compounds
332
E-value
99.8806
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.389
Statistical Significance
0.0172
Supporting Reference Compounds
315
E-value
133.745
Click to view 3D structureD-alanine--D-alanine ligaseQ47758Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.359
Statistical Significance
2.80e-04
Supporting Reference Compounds
3
E-value
2.17978
HTH-type transcriptional regulator MgrA structureClick to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.324
Statistical Significance
2.70e-04
Supporting Reference Compounds
1
E-value
2.10193
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.538
Statistical Significance
3.00e-04
Supporting Reference Compounds
12
E-value
2.33548
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.359
Statistical Significance
0.013
Supporting Reference Compounds
425
E-value
101.36
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.368
Statistical Significance
0.0053
Supporting Reference Compounds
78
E-value
41.3379
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.344
Statistical Significance
7.40e-04
Supporting Reference Compounds
40
E-value
5.76084
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.538
Statistical Significance
0.013
Supporting Reference Compounds
109
E-value
101.126
Shiga toxin subunit A structureClick to view 3D structureShiga toxin subunit AQ9FBI2Shigella dysenteriaePredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.341
Statistical Significance
9.60e-04
Supporting Reference Compounds
2
E-value
7.47353
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.538
Statistical Significance
0.0107
Supporting Reference Compounds
78
E-value
83.6879
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.39
Statistical Significance
0.0199
Supporting Reference Compounds
118
E-value
154.764
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.333
Statistical Significance
0.0041
Supporting Reference Compounds
55
E-value
32.1517
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.353
Statistical Significance
0.0012
Supporting Reference Compounds
37
E-value
9.41976
Myeloperoxidase structureClick to view 3D structureMyeloperoxidaseP05164HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.483
Statistical Significance
0.0056
Supporting Reference Compounds
43
E-value
43.6734
Mitochondrial import inner membrane translocase subunit TIM23 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.359
Statistical Significance
0.0107
Supporting Reference Compounds
75
E-value
83.2208
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.333
Statistical Significance
0.0725
Supporting Reference Compounds
406
E-value
564.563
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.359
Statistical Significance
0.0606
Supporting Reference Compounds
372
E-value
471.922
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.278 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
1
E-value
7.94062
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.323
Statistical Significance
0.0297
Supporting Reference Compounds
215
E-value
231.134
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.389
Statistical Significance
0.008
Supporting Reference Compounds
70
E-value
62.0458
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.391
Statistical Significance
0.0033
Supporting Reference Compounds
47
E-value
25.6902
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0307
Supporting Reference Compounds
226
E-value
239.231
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available