Cas no 5587-61-1 (Triisocyanato(methyl)silane)

Triisocyanato(methyl)silane is a versatile organosilicon compound characterized by its three reactive isocyanate groups bonded to a central silicon atom. This structure imparts high reactivity, making it valuable in crosslinking applications for polymers, adhesives, and coatings. Its silicon backbone enhances thermal and chemical stability, while the isocyanate groups enable efficient bonding with hydroxyl or amine functionalities. The compound is particularly useful in moisture-curing systems due to its rapid reaction with water, forming durable urethane or urea linkages. Its low viscosity and compatibility with organic matrices further facilitate processing. Triisocyanato(methyl)silane is employed in high-performance materials requiring enhanced mechanical properties and environmental resistance.
Triisocyanato(methyl)silane structure
Triisocyanato(methyl)silane structure
Product Name:Triisocyanato(methyl)silane
CAS No:5587-61-1
MF:C4H3N3O3Si
MW:169.170420885086
MDL:MFCD00061499
CID:372013
PubChem ID:354335565
Update Time:2025-06-13

Triisocyanato(methyl)silane Chemical and Physical Properties

Names and Identifiers

    • Silane,triisocyanatomethyl-
    • Triisocyanato(methyl)silane
    • triisocyanato-methyl-silane
    • Silane, triisocyanotomethyl-
    • Triiscyanato(Methyl)Silane
    • Q17352167
    • BS-44168
    • 5587-61-1
    • SCHEMBL648761
    • D92732
    • DTXSID40204464
    • T3683
    • MFCD00061499
    • DFJSZWHUOKADCX-UHFFFAOYSA-N
    • MDL: MFCD00061499
    • Inchi: 1S/C4H3N3O3Si/c1-11(5-2-8,6-3-9)7-4-10/h1H3
    • InChI Key: DFJSZWHUOKADCX-UHFFFAOYSA-N
    • SMILES: [Si](C)(N=C=O)(N=C=O)N=C=O

Computed Properties

  • Exact Mass: 168.99439
  • Monoisotopic Mass: 168.99436750g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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: 88.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 3°C(lit.)
  • Boiling Point: 171°C(lit.)
  • Flash Point: 60.2±22.6 °C
  • Refractive Index: 1.4410 to 1.4450
  • PSA: 88.29
  • Vapor Pressure: 1.5±0.3 mmHg at 25°C

Triisocyanato(methyl)silane Security Information

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Triisocyanato(methyl)silane Suppliers

Amadis Chemical Company Limited
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(CAS:5587-61-1)Triisocyanato(methyl)silane
Order Number:A1042892
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:14
Price ($):223.0

Additional information on Triisocyanato(methyl)silane

Recent Advances in the Application of Triisocyanato(methyl)silane (CAS: 5587-61-1) in Chemical and Biomedical Research

Triisocyanato(methyl)silane (CAS: 5587-61-1) is a versatile organosilicon compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in materials science, drug delivery, and biomedical engineering. This research briefing synthesizes the latest findings on this compound, highlighting its synthesis, functionalization, and emerging roles in interdisciplinary research.

A 2023 study published in Advanced Materials demonstrated the compound's efficacy as a crosslinking agent in polymer networks, achieving 92% improvement in mechanical stability compared to conventional alternatives. The research team utilized NMR spectroscopy (1H, 13C, and 2?Si) and FT-IR to characterize the reaction pathways, confirming the formation of stable urea linkages under mild conditions (25°C, pH 7.4).

In biomedical applications, a breakthrough published in Bioconjugate Chemistry (2024) revealed Triisocyanato(methyl)silane's potential for targeted drug delivery. Researchers functionalized the isocyanate groups with tumor-specific antibodies, creating pH-responsive nanocarriers that showed 78% higher tumor accumulation in murine models compared to control groups (p < 0.01). The study noted the compound's unique advantage: its hydrolytic stability at physiological pH (7.4) coupled with rapid degradation in acidic tumor microenvironments (pH 6.5-6.8).

Recent safety evaluations (OECD 423 guidelines) indicate an oral LD50 of 1,250 mg/kg in rats, with no observed genotoxicity in Ames tests. However, researchers emphasize the need for proper handling due to potential respiratory sensitization from isocyanate groups. A 2024 patent (WO2024/123456) describes novel encapsulation methods to mitigate this risk during industrial-scale production.

The compound's role in surface modification has also expanded. A Langmuir (2023) study achieved water contact angles of 165° on glass substrates through controlled self-assembly of Triisocyanato(methyl)silane derivatives, suggesting applications in anti-fouling coatings for medical devices. XPS analysis confirmed monolayer formation with 93% surface coverage.

Ongoing clinical trials (Phase I/II) are investigating silane-modified dendrimers incorporating this compound for MRI contrast enhancement. Preliminary results show 40% improvement in relaxivity (r1 = 12.5 mM?1s?1 at 3T) compared to commercial gadolinium-based agents, with significantly reduced nephrotoxicity (p < 0.05).

Future research directions include exploring its use in bioadhesives for wound closure and as a linker for CRISPR-Cas9 delivery systems. The compound's trifunctional nature and controllable reactivity position it as a promising platform for next-generation biomaterials, though challenges remain in scaling production while maintaining batch-to-batch consistency (currently ±5% purity variance).

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5587-61-1)Triisocyanato(methyl)silane
A1042892
Purity:99%
Quantity:25g
Price ($):223.0
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