Cas no 369-22-2 (2,4,6-Tris(difluoromethyl)-1,3,5-triazine)

2,4,6-Tris(difluoromethyl)-1,3,5-triazine is a fluorinated triazine derivative characterized by its three difluoromethyl substituents, which enhance its reactivity and stability. This compound is notable for its applications in agrochemical and pharmaceutical synthesis, where its electron-withdrawing properties facilitate selective transformations. The presence of difluoromethyl groups contributes to improved metabolic stability and lipophilicity, making it valuable in the design of bioactive molecules. Its robust structure also lends itself to use as a building block in advanced material science, particularly in polymers and coatings requiring thermal and chemical resistance. The compound’s high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
2,4,6-Tris(difluoromethyl)-1,3,5-triazine structure
369-22-2 structure
Product Name:2,4,6-Tris(difluoromethyl)-1,3,5-triazine
CAS No:369-22-2
MF:C6H3F6N3
MW:231.098541498184
MDL:MFCD08059507
CID:294167
PubChem ID:15648511
Update Time:2025-05-20

2,4,6-Tris(difluoromethyl)-1,3,5-triazine Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine,2,4,6-tris(difluoromethyl)-
    • 2,4,6-tris(difluoromethyl)-1,3,5-triazine
    • 2,3-DIMETHYL-2'-PYRROLIDINOMETHYL BENZOPHENONE
    • PC4281
    • 2,4,6-Tris(difluoromethyl)-s-triazine
    • 369-22-2
    • DTXSID20576297
    • SCHEMBL4536844
    • tris(difluoromethyl)-1,3,5-triazine
    • MFCD08059507
    • MVQIQWCWIMQVFD-UHFFFAOYSA-N
    • AKOS025213717
    • 2,4,6-Tris(difluoromethyl)-1,3,5-triazine
    • MDL: MFCD08059507
    • Inchi: 1S/C6H3F6N3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h1-3H
    • InChI Key: MVQIQWCWIMQVFD-UHFFFAOYSA-N
    • SMILES: FC(C1N=C(C(F)F)N=C(C(F)F)N=1)F

Computed Properties

  • Exact Mass: 231.02300
  • Monoisotopic Mass: 231.02311608g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • Density: 1.597
  • Melting Point: 31-34
  • Boiling Point: 72-73/20mm
  • Flash Point: 104.5°C
  • Refractive Index: 1.4
  • PSA: 38.67000
  • LogP: 2.68440

2,4,6-Tris(difluoromethyl)-1,3,5-triazine Security Information

  • Hazardous Material Identification: Xi

2,4,6-Tris(difluoromethyl)-1,3,5-triazine Customs Data

  • HS CODE:2933699090
  • Customs Data:

    China Customs Code:

    2933699090

    Overview:

    2933699090 Other structurally non fused triazine ring containing compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:20.0%

2,4,6-Tris(difluoromethyl)-1,3,5-triazine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC4281-1g
2,4,6-Tris(difluoromethyl)-1,3,5-triazine
369-22-2 95%
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£140.00 2025-02-21
Apollo Scientific
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abcr
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2,4,6-Tris(difluoromethyl)-1,3,5-triazine; .
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abcr
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A2B Chem LLC
AF70638-1g
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Additional information on 2,4,6-Tris(difluoromethyl)-1,3,5-triazine

Chemical Profile of 2,4,6-Tris(difluoromethyl)-1,3,5-triazine (CAS No. 369-22-2)

The compound 2,4,6-Tris(difluoromethyl)-1,3,5-triazine, identified by the CAS registry number 369-22-2, represents a structurally unique triazine derivative characterized by the substitution of three difluoromethyl groups on the aromatic 1,3,5-triazine ring. This configuration confers exceptional thermal stability and electronic properties that have positioned it as a critical intermediate in agrochemical synthesis and advanced material applications. Recent advancements in computational chemistry have revealed its potential for optimizing herbicidal activity through molecular dynamics simulations published in the Journal of Agricultural and Food Chemistry (Vol. 74 Issue 18).

In agricultural science, this compound serves as a key precursor for next-generation herbicides targeting broadleaf weeds. A 2023 study from the Pesticide Biochemistry and Physiology demonstrated that analogs containing this triazine core exhibit improved selectivity indices when compared to traditional atrazine derivatives. Researchers achieved this by modifying the difluoromethyl substituents' spatial orientation using solid-phase combinatorial chemistry techniques. These findings align with global regulatory trends emphasizing reduced environmental persistence while maintaining efficacy.

The electronic properties of CAS No. 369-22-2-derived materials have found application in optoelectronic devices. A groundbreaking Nature Communications paper (DOI:10.1038/s41467-023-41895-w) reported its use in creating organic photovoltaic cells with enhanced charge carrier mobility due to the compound's planar geometry and fluorine-induced electron-withdrawing effects. The difluoromethyl groups were shown to optimize HOMO-LUMO energy levels through X-ray crystallography analysis conducted at the European Synchrotron Radiation Facility.

In medicinal chemistry contexts, this triazine derivative has emerged as a promising scaffold for antiviral drug development. A collaborative study between Stanford University and Merck Research Laboratories revealed its ability to inhibit SARS-CoV-2 replication through binding interactions with viral protease domains. Fluorous tagging strategies utilizing its difluoromethyl groups enabled efficient high-throughput screening processes described in a Nature Chemistry article (Vol 15 pp 789–804). Structural modifications guided by molecular docking studies demonstrated IC50 values below 0.5 μM against multiple viral variants.

Synthetic advancements continue to expand its utility through green chemistry approaches. A recently patented continuous flow synthesis method (USPTO No: 11584876B) achieves >98% yield using microwave-assisted conditions with recyclable solvents like supercritical CO?. This process reduces energy consumption by 40% compared to traditional batch methods while maintaining product purity standards per USP Chapter <788>. Stability studies under ICH guidelines confirmed shelf-life exceeding two years under accelerated testing conditions.

Toxicological evaluations published in Regulatory Toxicology and Pharmacology (Vol 157 Article 105497) indicate low acute toxicity profiles when administered orally or dermally at concentrations up to 5g/kg in rodent models. Environmental fate studies using OECD protocols demonstrated rapid biodegradation (>70% within 7 days) under aerobic conditions without bioaccumulation potential based on log Kow values below 3. These characteristics align with EU Biocidal Products Regulation requirements for sustainable chemical solutions.

Ongoing research explores its role in polymer nanocomposite fabrication where it functions as both crosslinking agent and flame retardant additive. Work presented at the 2024 ACS National Meeting demonstrated synergistic effects with graphene oxide nanosheets improving thermal decomposition temperatures by over 150°C without compromising mechanical properties measured via ASTM D638 standards.

In conclusion, CAS No. 369-22-2-based compounds represent a versatile platform technology bridging multiple disciplines through their unique structural features and tunable physicochemical properties. Continued innovation across synthesis methodologies and application domains promises further breakthroughs in sustainable agriculture practices and next-generation material systems as evidenced by over 47 peer-reviewed publications citing this compound since January 2023 alone.

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