Cas no 59741-04-7 (2-methoxy-5-methylphenyl isocyanate)

2-Methoxy-5-methylphenyl isocyanate is a specialized aromatic isocyanate used primarily as a reactive intermediate in organic synthesis and polymer chemistry. Its key advantages include a well-defined molecular structure, which facilitates precise incorporation into urethane, urea, and other isocyanate-derived compounds. The methoxy and methyl substituents enhance its reactivity and selectivity in electrophilic aromatic substitution and cross-coupling reactions. This compound is particularly valued in the production of high-performance coatings, adhesives, and elastomers, where it contributes to improved thermal stability and mechanical properties. Its controlled reactivity profile makes it suitable for applications requiring tailored polymer architectures. Proper handling is essential due to its moisture sensitivity and potential health hazards.
2-methoxy-5-methylphenyl isocyanate structure
59741-04-7 structure
Product Name:2-methoxy-5-methylphenyl isocyanate
CAS No:59741-04-7
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD00013869
CID:90042
PubChem ID:4141520
Update Time:2025-06-07

2-methoxy-5-methylphenyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • 2-methoxy-5-methylphenyl isocyanate
    • 6-Methoxy-m-tolyl isocyanate
    • 2-Isocyanato-1-methoxy-4-methylbenzene
    • 2-Isocyanato-1-methyloxy-4-methylbenzene
    • Benzene, 2-isocyanato-1-methoxy-4-methyl-
    • MFCD00013869
    • DTXSID30399838
    • 2-isocyanato-1-methoxy-4-methyl-benzene
    • FT-0612804
    • A832444
    • GEO-03208
    • 2-methoxy-5-methylphenylisocyanate
    • 2-Methoxy-5-methylphenyl isocyanate, 98%
    • SCHEMBL1019299
    • EN300-146897
    • 59741-04-7
    • AS-10416
    • AKOS005171089
    • ALBB-003037
    • DB-053452
    • BBL104390
    • G63305
    • STK502557
    • MDL： MFCD00013869
    • Inchi： 1S/C9H9NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-5H,1-2H3
    • InChI Key： IDOHLSFNBKNRRJ-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(C)=CC=1N=C=O
    • BRN： 3604599

Computed Properties

  • Exact Mass: 163.06300
  • Monoisotopic Mass: 163.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: nothing
  • Topological Polar Surface Area: 38.7A^2

Experimental Properties

  • Color/Form: Colorless irritant liquid
  • Density: 1.112?g/mL?at 25?°C(lit.)
  • Melting Point: 25-26?°C (lit.)
  • Boiling Point: 240?°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.537(lit.)
  • PSA: 38.66000
  • LogP: 1.97090
  • Sensitiveness: Moisture Sensitive

2-methoxy-5-methylphenyl isocyanate Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H312-H315-H319-H332-H335
  • Warning Statement： P261-P280-P305+P351+P338
  • Hazardous Material transportation number：2206
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xn Xi
  • HazardClass：6.1
  • PackingGroup：III
  • Safety Term：6.1
  • Packing Group：III
  • Risk Phrases：R20/22; R36/37/38; R42
  • Packing Group：III
  • Hazard Level：6.1

2-methoxy-5-methylphenyl isocyanate 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%

2-methoxy-5-methylphenyl isocyanate Pricemore >>

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2-methoxy-5-methylphenyl isocyanate Production Method

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