Palladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]- (CED0162597)

Record Information
Version1.0
Creation Date2026-04-06 06:53:38 UTC
Update Date2026-05-21 07:11:17 UTC
SynCED IDCED0162597
Secondary Accession Numbers
  • CHEM119477
Identification
Common NamePalladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]-
ClassSmall Molecule
Description
Palladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]- is a chemical compound with the molecular formula C96H48Cl2F102P2Pd. Palladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]- belongs to the phenylphosphines and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 3,399 g/mol, Palladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]- is a heavy molecule. This compound is found in or released from 13 recorded sources across several sectors. These include electrical and electronic equipment, specifically batteries, capacitors, cell phones, printed circuit boards, wires, and cables. It is also associated with textiles, leather, and furnishings, such as carpets, rugs, and synthetic textiles. Additionally, the compound is linked to food, food processing, and cookware via food packaging, and to healthcare, pharmaceuticals, and veterinary products through medical devices. In the energy, oil, and gas sectors as well as industrial manufacturing and chemical processing, it is found in lubricants. One additional sector is also recorded. Recorded exposure routes for this substance include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC96H48Cl2F102P2Pd
Average Molecular Mass3398.550 g/mol
Monoisotopic Mass3376.001 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Cl-].[Cl-].[Pd++].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(C=C1)P(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(C=C1)P(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
InChI IdentifierInChI=1S/2C48H24F51P.2ClH.Pd/c2*49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;;;/h2*1-12H,13-18H2;2*1H;/q;;;;+2/p-2
InChI KeyKONKDVXTNQEYIF-UHFFFAOYSA-L
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 ValuesNot 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
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.229 Low confidence
Statistical Significance
0.0038
Supporting Reference Compounds
2
E-value
29.427
Receptor-type tyrosine-protein phosphatase zeta structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase zetaP23471HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.208 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
2
E-value
11.4438
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.209 Low confidence
Statistical Significance
0.5643
Supporting Reference Compounds
472
E-value
4392.8
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.209 Low confidence
Statistical Significance
0.1383
Supporting Reference Compounds
68
E-value
1076.73
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.209 Low confidence
Statistical Significance
0.1312
Supporting Reference Compounds
60
E-value
1021.07
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.209 Low confidence
Statistical Significance
0.1039
Supporting Reference Compounds
55
E-value
809.243
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.209 Low confidence
Statistical Significance
0.5716
Supporting Reference Compounds
407
E-value
4449.71
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.209 Low confidence
Statistical Significance
0.145
Supporting Reference Compounds
64
E-value
1128.81
Click to view 3D structureCeramide synthase 1P27545Mus musculusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Click to view 3D structureCeramide synthase 4Q9HA82HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Ceramide synthase 6 structureClick to view 3D structureCeramide synthase 6Q6ZMG9HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Click to view 3D structureCeramide synthase 2Q924Z4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Ceramide synthase 5 structureClick to view 3D structureCeramide synthase 5Q9D6K9Mus musculusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Click to view 3D structureCeramide synthase 1P27544HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
1
E-value
172.202
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.2 Low confidence
Statistical Significance
0.2982
Supporting Reference Compounds
63
E-value
2321.54
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.209 Low confidence
Statistical Significance
0.1013
Supporting Reference Compounds
46
E-value
788.613
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.209 Low confidence
Statistical Significance
0.0463
Supporting Reference Compounds
43
E-value
360.598
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.209 Low confidence
Statistical Significance
0.0408
Supporting Reference Compounds
34
E-value
317.625
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.209 Low confidence
Statistical Significance
0.0463
Supporting Reference Compounds
41
E-value
360.364
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.209 Low confidence
Statistical Significance
0.6686
Supporting Reference Compounds
372
E-value
5205.31
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.209 Low confidence
Statistical Significance
0.6002
Supporting Reference Compounds
242
E-value
4672.28
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.209 Low confidence
Statistical Significance
0.6654
Supporting Reference Compounds
332
E-value
5179.93
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.209 Low confidence
Statistical Significance
0.0576
Supporting Reference Compounds
44
E-value
448.256
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.209 Low confidence
Statistical Significance
0.447
Supporting Reference Compounds
151
E-value
3479.86
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.209 Low confidence
Statistical Significance
0.4935
Supporting Reference Compounds
172
E-value
3842.01
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available