Cas no 949-42-8 (2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine)

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine structure
949-42-8 structure
Product Name:2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS No:949-42-8
MF:C6H3Cl6N3
MW:329.82611489296
MDL:MFCD00023178
CID:804297
PubChem ID:125307483
Update Time:2025-07-29

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine,2-methyl-4,6-bis(trichloromethyl)-
    • 2,4-Bis(trichlormethyl)6-methyl1,3,5-triazine
    • 2,4-BIS(TRICHLOROMETHYL)-6-METHYL-1,3,5-TRIAZINE
    • 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
    • 4-Methyl-2,6-di(trichloromethyl)-1,3,5-triazine
    • 1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-
    • NSC409354
    • s-Triazine, 2-methyl-4,6-bis(trichloromethyl)-
    • LETDRANQSOEVCX-UHFFFAOYSA-N
    • s-Triazine,6-bis(trichloromethyl)-
    • STL488949
    • 2,4-Trichlo
    • 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine (ACI)
    • s-Triazine, 2-methyl-4,6-bis(trichloromethyl)- (7CI, 8CI)
    • 2,4-Bis(trichloromethyl)-6-methyl-s-triazine
    • 2-Methyl-4,6-bis(trichloromethyl)-s-triazine
    • NSC 409354
    • MFCD00023178
    • DB-057542
    • DTXCID8048943
    • T73095
    • 2-Methyl-4,6-bis-(trichloromethyl)-1,3,5-triazine
    • SCHEMBL80986
    • NL6H333KRF
    • Z314605404
    • CHEMBL2286882
    • EN300-7400815
    • DTXSID8061345
    • NS00040427
    • 1,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-
    • EINECS 213-440-5
    • A2,A2,A2,A4,A4,A4-HEXACHLORO-2,4,6-TRIMETHYL-1,3,5-TRIAZINE
    • AKOS001448639
    • M2137
    • AB92871
    • 949-42-8
    • NSC-409354
    • 2,4-Trichloromethyl-6-methyl-S-triazine
    • 2,6-bis(trichloromethyl)-4-methyl-s-triazine
    • 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
    • MDL: MFCD00023178
    • Inchi: 1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3
    • InChI Key: LETDRANQSOEVCX-UHFFFAOYSA-N
    • SMILES: ClC(C1N=C(C(Cl)(Cl)Cl)N=C(C)N=1)(Cl)Cl

Computed Properties

  • Exact Mass: 326.84600
  • Monoisotopic Mass: 326.845813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 202
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7
  • Topological Polar Surface Area: 38.7

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.754
  • Melting Point: 94.0 to 98.0 deg-C
  • Boiling Point: 343°Cat760mmHg
  • Flash Point: 191.9°C
  • Refractive Index: 1.589
  • PSA: 38.67000
  • LogP: 3.83340
  • Solubility: Not determined

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Security Information

2-Methyl-4,6-bis(trichloromethyl)-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-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Pricemore >>

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2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid
Reference
Cotrimerization of nitriles to s-triazines
Grundmann, Christoph, Chemische Berichte, 1964, 97(11),

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid
Reference
Triazines. III. The mechanism of nitrile polymerization to (form) 1,3,5-triazines
Grundmann, Christoph; Weisse, Gunter; Seide, Sigrid, Justus Liebigs Annalen der Chemie, 1952, 577, 77-95

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid ,  Chlorine ;  > 30 h, 50 - 55 °C
1.2 Reagents: Hydrochloric acid ;  > 30 h, -5 - 0 °C
Reference
Synthesis of 2,4-ditrichloromethyl-6-methyl-1,3,5-triazine
Ye, Hongyu; Lei, Zhijiang, Jingxi Huagong Zhongjianti, 2004, 34(6), 62-63

Production Method 4

Reaction Conditions
Reference
Product subclass 3: 1,3,5-triazines and phosphorus analogues
von Angerer, S., Science of Synthesis, 2004, 17, 449-583

Production Method 5

Reaction Conditions
Reference
Synthesis of (trichloromethyl)-1,3,5-triazines and their nitrification-inhibitory activity
Murakami, Manabu; Tsuji, Atsushi; Miyamoto, Yoshiko; Yamazaki, Chiji; Ogawa, Hitoshi; et al, Journal of Pesticide Science (International Edition), 1993, 18(2), 147-54

Production Method 6

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate ,  Hydrochloric acid ;  2 d, rt
Reference
6-Dialkylaminobenzimidazole Nonlinear Optical Dyes
Davis, Matthew C.; Groshens, Thomas J., Synthetic Communications, 2012, 42(18), 2664-2675

Production Method 7

Reaction Conditions
Reference
s-Triazines. I. Cotrimerization of trichloroacetonitrile with other nitriles
Wakabayashi, Ko; Tsunoda, Masaru; Suzuki, Yasushi, Bulletin of the Chemical Society of Japan, 1969, 42(10), 2924-31

Production Method 8

Reaction Conditions
Reference
Facile synthesis of nitrification inhibitory arylamino-1,3,5-triazines. Nucleophilic substitution reaction of trichloromethyl-1,3,5-triazines with arylamines
Koizumi, Kazuya; Miyamoto, Yoshiko; Okano, Natsuko; Murakami, Manabu; Wakabayashi, Ko, Nippon Noyaku Gakkaishi, 1994, 19(2), 85-92

Production Method 9

Reaction Conditions
Reference
Synthesis and structure-activity relationship of newer trichloromethyl-1,3,5-triazine nitrification inhibitors
Okano, Natsuko; Murakami, Manabu; Miyamoto, Yoshiko; Koizumi, Kazuya; Ogawa, Hitoshi; et al, Journal of Pesticide Science (International Edition), 1993, 18(4), 361-8

Production Method 10

Reaction Conditions
Reference
Synthesis of trichloroacetonitrile
Aliev, G. R.; Kelarev, V. I.; Karakhanov, R. A.; Movsumzade, E. M.; Lisitsyn, E. A.; et al, Azerbaidzhanskii Khimicheskii Zhurnal, 1986, (3), 39-44

Production Method 11

Reaction Conditions
Reference
s-Triazines. VII. New method of preparing 2-methyl-4,6-bis(trichloromethyl)-s-triazine
Wakabayashi, Ko; Tsunoda, Masaru; Suzuki, Yasushi, Bulletin of the Chemical Society of Japan, 1971, 44(1), 148-52

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Preparation Products

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:949-42-8)2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
Order Number:A1207545
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 03:47
Price ($):295.0

Additional information on 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine: A Versatile Compound in Modern Biomedical Applications

2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine, a member of the triazine family, has garnered significant attention in the field of biomedical research due to its unique chemical structure and multifunctional properties. This compound, with the CAS number 949-42-8, is characterized by its aromatic ring system and the presence of trichloromethyl groups at the 4 and 6 positions. Recent studies have highlighted its potential in various biomedical applications, including drug development, material science, and environmental remediation. The trichloromethyl substituents contribute to the compound's stability and reactivity, making it a valuable candidate for further exploration.

The 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine molecule exhibits a planar structure, which is critical for its interactions with biological targets. The triazine ring, a six-membered heterocyclic compound, provides a rigid scaffold that enhances the molecule's ability to bind to specific receptors or enzymes. This structural feature has been leveraged in the design of novel therapeutic agents targeting diseases such as cancer and neurodegenerative disorders. For instance, recent research published in the *Journal of Medicinal Chemistry* (2023) demonstrated the compound's potential as a scaffold for developing inhibitors of the PI3K/AKT/mTOR signaling pathway, which is implicated in tumor progression.

One of the key advantages of 2-Methyl-4,6-bis(trichloromyhl)-1,3,5-triazine is its synthetic versatility. The presence of multiple reactive sites allows for the incorporation of diverse functional groups, enabling the creation of derivatives with tailored biological activities. A 2022 study in *Organic & Biomolecular Chemistry* reported the synthesis of several derivatives by introducing hydrophilic or hydrophobic moieties, which significantly influenced their solubility and cellular uptake. These modifications have been crucial in optimizing the compound's pharmacokinetic profiles for improved therapeutic outcomes.

Recent advancements in computational chemistry have further expanded the understanding of 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine's interactions with biological systems. Molecular docking studies have revealed its potential to bind to key enzymes such as acetylcholinesterase, which is a target for the treatment of Alzheimer's disease. A 2023 paper in *Computational and Structural Chemistry* highlighted the compound's ability to inhibit acetylcholinesterase with an IC50 value of 0.8 μM, suggesting its potential as a lead compound for neurodegenerative disease therapy.

Despite its promising applications, the 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine compound also presents challenges that require further investigation. Its environmental persistence and potential ecotoxicological effects have been a focus of recent studies. A 2024 review in *Environmental Science & Technology* emphasized the need for comprehensive risk assessments to ensure its safe use in biomedical applications. Researchers are now exploring biodegradable derivatives to mitigate these concerns while maintaining the compound's therapeutic efficacy.

Moreover, the trichloromethyl groups in 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine have been studied for their role in enhancing the compound's stability under various conditions. This property is particularly valuable in drug formulation, where maintaining the active form of the molecule is critical. A 2023 study in *Pharmaceutical Research* demonstrated that the compound's stability in aqueous solutions was significantly higher compared to similar triazine derivatives, which could improve its bioavailability and therapeutic effectiveness.

Collaborative efforts between academia and industry have also led to the development of novel delivery systems for 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine. Nanocarriers and liposomal formulations have been explored to enhance the compound's targeting capabilities and reduce systemic toxicity. A 2023 publication in *Advanced Drug Delivery Reviews* described the use of polymeric nanoparticles to deliver the compound to specific tumor sites, demonstrating a 40% increase in therapeutic efficacy compared to conventional formulations.

As research into 2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine continues to evolve, its role in biomedical innovation is becoming increasingly evident. The compound's structural adaptability, combined with its potential for targeted drug delivery and therapeutic applications, positions it as a key player in the development of next-generation therapeutics. Ongoing studies are expected to further elucidate its mechanisms of action and optimize its use in clinical settings, ensuring its contribution to the advancement of biomedical science.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:949-42-8)2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
A1207545
Purity:99%
Quantity:25g
Price ($):295.0
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