(1Z)-1,2-Dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene (CED0161200)

Record Information
Version1.0
Creation Date2026-04-06 05:06:27 UTC
Update Date2026-08-25 06:29:26 UTC
Accession NumberCHEM117682
Identification
Common Name(1Z)-1,2-Dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
ClassSmall Molecule
Description
(1Z)-1,2-Dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene belongs to the vinyl bromides, a subclass of vinyl halides within the organic compounds. With an average molecular weight of 503.88 g/mol, (1Z)-1,2-Dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene is a heavy molecule. This organohalogen compound has the chemical formula C8HBr2F13. The substance is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also linked to food packaging in the food, food processing and cookware sector, and medical devices within healthcare, pharmaceuticals and veterinary products. Additionally, the compound is found in lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing, and one more sector. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8HBr2F13
Average Molecular Mass503.883 g/mol
Monoisotopic Mass501.824 g/mol
CAS Registry Number59665-28-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)=CBr
InChI IdentifierInChI=1S/C8HBr2F13/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H/b2-1-
InChI KeyYCJFSPFBPAMUCR-UPHRSURJSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2374.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)702.511
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7741.09
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)7760.94
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)7731.6
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)240.554
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7767.56
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)7369.91
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7775.11
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)7778.85
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)719.872
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)6092.79
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7758.76
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)222.415
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7783.13
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7770.83
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7783.52
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)776.935
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)7640.12
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)996.47
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7780.95
Click to view 3D structureRyanodien receptorH9CNL0Spodoptera exiguaPredicted (SEA)5632.16
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)1180.58
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)1860.83
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)1464.81
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)7772.7
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available