Cas no 57101-59-4 (1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-)
1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-
- 2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
- TRIS(PERFLUORONONYL)-S-TRIAZINE
- 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine [for Mass spectrometry]
- 2,4,6-Tris(perfluorononyl)-1,3,5-triazine, Mass Spec Std
- 2,4,6-TRIS(PERFLUORONONYL)-S-TRIAZINE
- EINECS 260-560-9
- PC7912
- 2,4,6-Tris(perfluorononyl)-1,3,5-triazine
- NS00019142
- CS-0453681
- DTXSID10205721
- Tris(perfluorononyl)-s-triazine 95%
- SCHEMBL4300065
- 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
- 1,3,5-Triazine, 2,4,6-tris(nonadecafluorononyl)-
- FT-0609927
- 2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine #
- AKOS025310427
- A831312
- C30F57N3
- Tris(perfluorononyl)-1,3,5-triazine
- 2,4,6-tris[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecakis(fluoranyl)nonyl]-1,3,5-triazine
- 57101-59-4
- MFCD00042440
- Tris(perfluorononyl)-sym-triazine
- TRIS(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-NONADECAFLUORONONYL)-1,3,5-TRIAZINE
-
- MDL: MFCD00042440
- Inchi: 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 Key: RTAZGRONMASOMW-UHFFFAOYSA-N
- SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C1N=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N=1)(F)F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 1484.92000
- Monoisotopic Mass: 1484.918204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 90
- Rotatable Bond Count: 27
- Complexity: 2280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 18.8
Experimental Properties
- Color/Form: solid
- Density: 1.792
- Melting Point: 82-84°C
- Boiling Point: 471.2°Cat760mmHg
- Flash Point: 238.8°C
- PSA: 38.67000
- LogP: 18.17520
- Solubility: Insoluble
1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- Security Information
- Hazard Statement: Irritant
- Hazard Category Code: 20
- Safety Instruction: S22-S24/25-S36-S26
-
Hazardous Material Identification:
- Safety Term:S22;S24/25
- Storage Condition:2-8°C
- Risk Phrases:R20
1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- Pricemore >>
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1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- Suppliers
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Additional information on 1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-
Research Brief on 1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- (CAS: 57101-59-4)
The compound 1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- (CAS: 57101-59-4) has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique fluorinated structure and potential applications in drug development, material science, and surface chemistry. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, properties, and emerging applications.
Recent studies have highlighted the compound's exceptional hydrophobicity and oleophobicity, attributed to its perfluorinated side chains. These properties make it a promising candidate for creating superhydrophobic coatings, which are increasingly relevant in medical devices and implants to prevent biofouling. A 2023 study published in the Journal of Fluorine Chemistry demonstrated that coatings incorporating this triazine derivative exhibited >95% reduction in bacterial adhesion compared to untreated surfaces, suggesting its potential in antimicrobial applications.
In pharmaceutical research, the compound's ability to serve as a scaffold for drug design has been explored. Its rigid triazine core provides structural stability, while the fluorinated side chains enhance membrane permeability—a critical factor in drug delivery. Computational modeling studies (J. Med. Chem., 2024) have shown that derivatives of this compound can effectively bind to hydrophobic pockets in target proteins, particularly in oncology-related targets such as PD-L1 and KRAS mutants.
The synthesis of 1,3,5-Triazine,2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- has seen methodological improvements in the past two years. A novel microwave-assisted synthesis approach (Org. Process Res. Dev., 2023) reduced reaction times from 48 hours to under 6 hours while maintaining yields above 85%. This advancement addresses previous challenges in scaling up production, making the compound more accessible for industrial applications.
Toxicological assessments have become a recent focus area. While early studies raised concerns about potential bioaccumulation due to the perfluorinated chains, a 2024 investigation in Environmental Science & Technology reported that the triazine core facilitates faster degradation compared to linear perfluorinated compounds. The study found a half-life of 28 days in simulated environmental conditions, significantly shorter than traditional PFAS compounds.
Emerging applications in diagnostic imaging have been reported. The compound's fluorine-rich structure makes it an ideal candidate for 19F MRI contrast agents. Research teams at several institutions have developed nanoparticle formulations containing this triazine derivative that demonstrate enhanced signal-to-noise ratios in preclinical imaging studies (ACS Nano, 2024).
Future research directions appear to be focusing on three main areas: (1) further optimization of synthetic routes for cost-effective production, (2) development of targeted drug delivery systems leveraging the compound's unique properties, and (3) comprehensive environmental impact assessments as regulatory scrutiny of fluorinated compounds intensifies globally.
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