Cas no 614-90-4 (Tolylene 2,5-diisocyanate)

Tolylene 2,5-diisocyanate (TDI) is an aromatic diisocyanate primarily used as a key intermediate in polyurethane production. Its molecular structure features two reactive isocyanate groups, enabling efficient cross-linking with polyols to form durable elastomers, coatings, adhesives, and foams. The 2,5-isomer offers distinct reactivity and steric properties compared to other TDI isomers, influencing polymerization kinetics and final material performance. It is valued for its balance of mechanical strength, chemical resistance, and thermal stability in specialized polyurethane applications. Proper handling is essential due to its moisture sensitivity and potential health hazards. The compound is typically handled under controlled conditions to ensure consistent quality in industrial formulations.
Tolylene 2,5-diisocyanate structure
Tolylene 2,5-diisocyanate structure
Product Name:Tolylene 2,5-diisocyanate
CAS No:614-90-4
MF:C9H6N2O2
MW:174.156141757965
CID:954590
PubChem ID:4302460
Update Time:2025-06-08

Tolylene 2,5-diisocyanate Chemical and Physical Properties

Names and Identifiers

    • tolylene 2,5-diisocyanate
    • 1,4-diisocyanato-2-methylbenzene
    • 2,4-toluylene diisocyanate
    • 2,5-toluenediisocyanate
    • Methyl-p-phenylendiisocyanat
    • methyl-p-phenylene diisocyanate
    • m-toluene diisocyanate
    • toluene-2,5-diisocyanate
    • toluene 2,5-diisocyanate
    • 2,5-Diisocyanatotoluene
    • Toluylen-2,5-diisocyanat
    • DTXSID50401720
    • 614-90-4
    • Tolylene 2,5-diisocyanate, 98%
    • SCHEMBL77895
    • DKBHJZFJCDOGOY-UHFFFAOYSA-N
    • Tolylene 2,5-diisocyanate
    • Inchi: 1S/C9H6N2O2/c1-7-4-8(10-5-12)2-3-9(7)11-6-13/h2-4H,1H3
    • InChI Key: DKBHJZFJCDOGOY-UHFFFAOYSA-N
    • SMILES: O=C=NC1C=CC(=CC=1C)N=C=O

Computed Properties

  • Exact Mass: 174.04300
  • Monoisotopic Mass: 174.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 3.9
  • Topological Polar Surface Area: 58.9

Experimental Properties

  • Density: 1.3146 (rough estimate)
  • Melting Point: 35-39?°C(lit.)
  • Boiling Point: 138-139?°C15?mm Hg(lit.)
  • Flash Point: >230?°F
  • Refractive Index: 1.5651 (estimate)
  • PSA: 58.86000
  • LogP: 1.92960

Tolylene 2,5-diisocyanate Security Information

  • Hazardous Material transportation number:UN 2811 6.1/PG 2
  • WGK Germany:3
  • Hazard Category Code: 45-46-26-42/43
  • Safety Instruction: 53-22-26-28-38-45
  • Hazardous Material Identification: T+
  • Risk Phrases:R45; R46; R26; R42/43

Tolylene 2,5-diisocyanate Customs Data

  • HS CODE:2929109000
  • Customs Data:

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Tolylene 2,5-diisocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHENG KE LU SI SHENG WU JI SHU
sc-237127-1g
Tolylene 2,5-diisocyanate,
614-90-4
1g
¥1685.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-237127-1 g
Tolylene 2,5-diisocyanate,
614-90-4
1g
¥1,685.00 2023-07-10

Additional information on Tolylene 2,5-diisocyanate

Comprehensive Guide to Tolylene 2,5-diisocyanate (CAS No. 614-90-4): Properties, Applications, and Industry Insights

Tolylene 2,5-diisocyanate (CAS No. 614-90-4), a specialized organic compound, is gaining attention in industrial and research applications due to its unique chemical properties. Often referred to as 2,5-TDI or TDI-2,5, this isomer of toluene diisocyanate plays a critical role in polymer synthesis. With growing interest in sustainable materials and high-performance coatings, understanding Tolylene 2,5-diisocyanate’s characteristics becomes essential for chemists and engineers.

The molecular structure of CAS No. 614-90-4 features two reactive isocyanate groups (–NCO) attached to a toluene ring at the 2 and 5 positions. This configuration enables crosslinking reactions with polyols, making it valuable for producing polyurethane elastomers, adhesives, and specialty coatings. Recent studies highlight its potential in bio-based polyurethanes, aligning with the global shift toward eco-friendly materials. Researchers are actively exploring Tolylene 2,5-diisocyanate derivatives to reduce environmental impact while maintaining mechanical performance.

In industrial settings, Tolylene 2,5-diisocyanate is often compared to other diisocyanate isomers like 2,4-TDI and 2,6-TDI. While sharing similar reactivity, the 2,5-isomer exhibits distinct crystallization behavior and solubility profiles. These differences make it preferable for specific applications such as high-temperature resistant coatings and flexible foams. Manufacturers increasingly seek CAS 614-90-4 for formulations requiring controlled viscosity and enhanced thermal stability.

Safety and handling of Tolylene 2,5-diisocyanate remain top priorities. Industry best practices emphasize using closed-system processing and personal protective equipment (PPE) to mitigate exposure risks. Regulatory frameworks like REACH and OSHA provide guidelines for safe storage and transportation of diisocyanate compounds. Recent advancements in encapsulation technologies further improve workplace safety during polyurethane production.

Emerging trends in smart materials and self-healing polymers have sparked new research into TDI-2,5 applications. Scientists are investigating its role in shape-memory polyurethanes for medical devices and aerospace components. The compound’s ability to form hydrogen-bonded networks also makes it promising for recyclable thermosets—a hot topic in circular economy discussions. Patent filings related to 614-90-4 have surged by 18% since 2020, reflecting growing commercial interest.

For procurement specialists, understanding Tolylene 2,5-diisocyanate market dynamics is crucial. Global production capacity currently focuses on Asia-Pacific regions, with tightening supply chains affecting diisocyanate pricing trends. Quality benchmarks like ISO 14896 help buyers verify purity levels, while analytical techniques such as FTIR spectroscopy ensure batch consistency. Sustainable alternatives like aliphatic diisocyanates are being evaluated, though 2,5-TDI maintains advantages in cost-performance ratios for many applications.

Environmental considerations drive innovation in Tolylene 2,5-diisocyanate recycling methods. Novel glycolysis processes can recover polyols from TDI-based polyurethanes, reducing landfill waste. Lifecycle assessments show potential for carbon footprint reduction when combining CAS 614-90-4 with renewable raw materials. These developments respond to increasing ESG (Environmental, Social, and Governance) reporting requirements across manufacturing sectors.

Looking ahead, Tolylene 2,5-diisocyanate will likely see expanded use in electric vehicle components and wind turbine coatings. Its balance of chemical resistance and flexibility meets demanding specifications in these growth industries. Continued R&D into low-emission formulations and catalyst systems will further optimize performance while addressing regulatory pressures. As material science advances, 614-90-4 remains a versatile building block for next-generation polymers.

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