Cas no 85324-94-3 (Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI))

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) is a specialized aromatic isocyanate compound featuring a trimethyl-substituted benzene ring. Its key advantage lies in its reactive isocyanate functional group, which enables participation in polyurethane and polyurea synthesis, offering tailored polymer properties. The steric hindrance from the 2,4,5-trimethyl substitution may influence reactivity and selectivity in crosslinking or step-growth polymerization processes. This compound is particularly useful in applications requiring controlled reactivity or enhanced thermal and chemical resistance in the resulting materials. Careful handling is essential due to the isocyanate group's sensitivity to moisture and potential health hazards. Its structural features make it suitable for high-performance coatings, adhesives, or elastomers where modified aromatic backbones are advantageous.
Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) structure
85324-94-3 structure
Product Name:Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
CAS No:85324-94-3
MF:C10H11NO
MW:161.200442552567
CID:1022756
PubChem ID:12793517
Update Time:2025-06-14

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)
    • 1-isocyanato-2,4,5-trimethylbenzene
    • 2,4,5-TRIMETHYLPHENYL ISOCYANATE, 98%
    • 2,4,5-TRIMETHYLPHENYL ISOCYANATE
    • BENZENE, 1-ISOCYANATO-2,4,5-TRIMETHYL-
    • MAIFYUSBGLFXDA-UHFFFAOYSA-N
    • DTXSID20510055
    • EN300-1835831
    • 85324-94-3
    • SCHEMBL1191608
    • DB-273906
    • Inchi: 1S/C10H11NO/c1-7-4-9(3)10(11-6-12)5-8(7)2/h4-5H,1-3H3
    • InChI Key: MAIFYUSBGLFXDA-UHFFFAOYSA-N
    • SMILES: O=C=NC1=CC(C)=C(C)C=C1C

Computed Properties

  • Exact Mass: 161.084063974g/mol
  • Monoisotopic Mass: 161.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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: 3.8
  • Topological Polar Surface Area: 29.4?2

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) Security Information

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Additional information on Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI)

Comprehensive Overview of Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) (CAS No. 85324-94-3)

Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI), with the CAS number 85324-94-3, is a specialized organic compound that has garnered significant attention in industrial and research applications. This compound belongs to the class of isocyanates, which are widely recognized for their reactivity and utility in polymer chemistry. The presence of the isocyanato group (-NCO) and trimethyl-substituted benzene ring makes it a valuable intermediate in the synthesis of advanced materials, coatings, and adhesives. Its unique structure contributes to its role in enhancing the performance of polyurethane-based products, a topic frequently searched by professionals in material science.

In recent years, the demand for high-performance polymers and sustainable materials has surged, driving interest in compounds like 85324-94-3. Researchers and manufacturers often explore its potential in green chemistry applications, aligning with global trends toward eco-friendly production. The compound's reactivity with polyols and amines is a key focus area, as it enables the creation of durable yet lightweight materials for automotive, construction, and consumer goods. Searches related to "isocyanate applications in polyurethane" or "eco-friendly polymer additives" highlight its relevance in modern industrial discourse.

The synthesis and handling of Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) require meticulous attention to chemical compatibility and reaction conditions. Its stability under various temperatures and solvents is a frequent subject of technical inquiries. For instance, users often search for "thermal stability of trimethyl isocyanato benzene" or "solvent selection for isocyanate reactions," reflecting the need for precise operational guidelines. Analytical techniques such as FTIR spectroscopy and HPLC are commonly employed to characterize this compound, ensuring purity and consistency in industrial batches.

From a regulatory perspective, 85324-94-3 is evaluated for its environmental and health impacts, though it is not classified under restricted categories. Discussions around "safe handling of isocyanates" and "biodegradability of aromatic compounds" are prevalent in forums and technical literature. Innovations in catalytic processes and waste reduction further underscore its role in sustainable chemistry. As industries strive to meet stricter environmental standards, the compound's potential for low-emission applications remains a hot topic.

In summary, Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI) (CAS No. 85324-94-3) is a versatile compound with broad utility in polymer science and material engineering. Its alignment with trends like sustainability and high-performance materials ensures continued relevance. By addressing common search queries and technical challenges, this overview aims to provide a balanced perspective on its applications, handling, and future potential.

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