1-(4-bromophenyl)-2,2,2-trifluoroethanone (CED0213946)

Record Information

Version

1.0

Creation Date

2026-08-24 19:01:29 UTC

Update Date

2026-08-24 19:01:29 UTC

Accession Number

CHEM253571

Identification

Common Name

1-(4-bromophenyl)-2,2,2-trifluoroethanone

Class

Small Molecule

Description

1-(4-bromophenyl)-2,2,2-trifluoroethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound possesses the chemical formula C8H4BrF3O and has an average molecular weight of 253.02 g/mol. The substance has been identified in or released from seven recorded sources. Within the category of Electrical & Electronic Equipment, it is associated with amplifiers, antennas, adjustable resistors, power cables, and gas filled discharge tubes with solid cathode, among one additional source. Furthermore, it is found in the building and construction sector, specifically in roofs.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₄BrF₃O

Average Molecular Mass

253.020 g/mol

Monoisotopic Mass

251.940 g/mol

CAS Registry Number

16184-89-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

InChI Key

IHGSAQHSAGRWNI-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
1441.0	Log mg/kg	[810:2600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
499	Roofs	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	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	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	234.248
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	254.723
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	273.251
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	365.113
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	680.791
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	492.941
Click to view 3D structure	Hydroxyacid oxidase 1	I3LVF1	Sus scrofa	Predicted (SEA)	1.32344
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	18.606
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	105.875
Click to view 3D structure	Envelope phospholipase OPG057	P04021	Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	Predicted (SEA)	26.6244
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	147.135
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	1547.8
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	837.658
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	401.157
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	12.0666
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	433.542
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	1107.25
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	844.82
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	3.89246
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	99.5692
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	1069.8
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	702.122
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	20.2408
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	1565.08
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	144.255