2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine (CED0099191)

Record Information
Version1.0
Creation Date2026-04-03 06:14:17 UTC
Update Date2026-08-22 10:03:22 UTC
SynCED IDCED0099191
Secondary Accession Numbers
  • CHEM062256
Identification
Common Name2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
ClassSmall Molecule
Description
2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine belongs to the 1,3,5-triazines, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the chemical formula C30F57N3. With an average molecular weight of 1,485 g/mol, 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine is a heavy molecule. The compound 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. It is also found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. In the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices, while in the food, food processing and cookware sector, it is associated with food packaging. Additionally, the compound is utilized as lubricants in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sector. One other sector is also recorded as a source. Recorded exposure routes for 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC30F57N3
Average Molecular Mass1485.260 g/mol
Monoisotopic Mass1484.918 g/mol
CAS Registry Number57101-59-4
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(F)(F)C(F)(F)C(F)(F)C1=NC(=NC(=N1)C(F)(F)C(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(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87
InChI KeyRTAZGRONMASOMW-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 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 EffectRelationshipDirectionReference
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
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.128
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9814
Supporting Reference Compounds
117
E-value
7640.2
Dihydroorotate dehydrogenase (quinone), mitochondrial structureClick to view 3D structureDihydroorotate dehydrogenase (quinone), mitochondrialQ63707Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.137 Low confidence
Statistical Significance
0.7107
Supporting Reference Compounds
15
E-value
5532.98
Click to view 3D structureCyclic AMP-dependent transcription factor ATF-1P18846HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.3932
Supporting Reference Compounds
3
E-value
3060.88
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.124
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9988
Supporting Reference Compounds
793
E-value
7775.81
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.154 Low confidence
Statistical Significance
0.9986
Supporting Reference Compounds
472
E-value
7773.79
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.154 Low confidence
Statistical Significance
0.9977
Supporting Reference Compounds
407
E-value
7767.17
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
1245
E-value
7780.1
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9879
Supporting Reference Compounds
102
E-value
7690.65
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9968
Supporting Reference Compounds
174
E-value
7759.7
Bcl-2-related protein A1 structureClick to view 3D structureBcl-2-related protein A1Q07440Mus musculusPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9423
Supporting Reference Compounds
32
E-value
7335.97
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.118
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9969
Supporting Reference Compounds
201
E-value
7761.1
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.16 Low confidence
Statistical Significance
0.2297
Supporting Reference Compounds
11
E-value
1787.96
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.16 Low confidence
Statistical Significance
0.9949
Supporting Reference Compounds
553
E-value
7745.37
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9809
Supporting Reference Compounds
296
E-value
7636.31
Click to view 3D structureUtrophinE9Q6R7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.137 Low confidence
Statistical Significance
0.5344
Supporting Reference Compounds
1
E-value
4159.95
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial structureClick to view 3D structureSuccinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrialP21912HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.163 Low confidence
Statistical Significance
0.22
Supporting Reference Compounds
3
E-value
1712.53
Dihydroorotate dehydrogenase (quinone), mitochondrial structureClick to view 3D structureDihydroorotate dehydrogenase (quinone), mitochondrialQ08210Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.14 Low confidence
Statistical Significance
0.4249
Supporting Reference Compounds
13
E-value
3308.12
Click to view 3D structureGeneral amino acid permease AGP1P25376Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.163 Low confidence
Statistical Significance
0.7002
Supporting Reference Compounds
12
E-value
5450.77
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9839
Supporting Reference Compounds
226
E-value
7659.58
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9839
Supporting Reference Compounds
227
E-value
7659.9
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.132
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9989
Supporting Reference Compounds
1498
E-value
7776.44
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.13
Applicability Domain
0.16 Low confidence
Statistical Significance
0.9957
Supporting Reference Compounds
317
E-value
7751.37
Dihydroorotate dehydrogenase structureClick to view 3D structureDihydroorotate dehydrogenaseQ54A96Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.137 Low confidence
Statistical Significance
0.816
Supporting Reference Compounds
23
E-value
6352.19
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.16 Low confidence
Statistical Significance
0.9972
Supporting Reference Compounds
497
E-value
7763.51
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.16 Low confidence
Statistical Significance
0.9892
Supporting Reference Compounds
148
E-value
7700.53
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available