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  • Toluene-2,4-Diisocyanate

  • Toluene-2,4-Diisocyanate

    Catalog Number
    ACMA00017202
    Product Name
    Toluene-2,4-Diisocyanate
    Category
    Polymers
    Description
    Toluene-2,4-diisocyanate appears as colorless to yellow or dark liquid or solid with a sweet, fruity, pungent odor. Melting point 68°F (20° C). Evolves CO2 when moist. This can cause over-pressurization in an enclosed space.Toxic and carcinogenic. Used in polyurethane foams, coatings in floor and wood finishes, sealers, paints, concrete sealers for aircraft and tank trucks, elastomers in clay pipe seals, elastomers and coatings, and crosslinking agent for nylon. Rate of onset: Immediate Persistence: Hours - weeks Odor threshold: 0.4 - 2 ppm Source/use/other hazard: Polyurethane (wood coatings, foam), nylon industries; skin irritant.;Liquid;Liquid;COLOURLESS-TO-PALE YELLOW LIQUID OR CRYSTALS WITH PUNGENT ODOUR. TURNS PALE YELLOW ON EXPOSURE TO AIR.;Colorless to pale-yellow solid or liquid (above 71°F) with a sharp, pungent odor.;Colorless to pale-yellow solid or liquid (above 71°F) with a sharp, pungent odor.
    IUPAC Name
    2,4-diisocyanato-1-methylbenzene
    Molecular Weight
    174.16g/mol
    Molecular Formula
    C9H6N2O2;CH3C6H3(NCO)2;C9H6N2O2
    Canonical SMILES
    CC1=C(C=C(C=C1)N=C=O)N=C=O
    InChI
    InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
    InChI Key
    DVKJHBMWWAPEIU-UHFFFAOYSA-N
    Boiling Point
    484 °F at 760 mm Hg (EPA, 1998);251.0 °C;251 °C;251 °C;484°F;484°F
    Melting Point
    67.1 to 70.7 °F (EPA, 1998);20.5 °C;20.5 °C;22 °C;67.1-70.7°F;71°F
    Flash Point
    270 °F (EPA, 1998);260 °F (127 °C);127 °C c.c.;270°F for an 80/20% 2,4/ 2,6 TDI mixture;260°F
    Density
    1.2244 at 68 °F (EPA, 1998);1.2244 at 20 °C/4 °C;Relative density (water = 1): 1.2;1.2244 at 68°F;1.22
    Solubility
    Decomposes (NTP, 1992);Very soluble in acetone, benzene, ethyl ether;Soluble in ether. acetone, and other organic solvents;Miscible with alcohol (decomposition). Miscible with ether, acetone, benzene, carbon tetrachloride, chlorobenzene, diglycol monomethyl ether, kerosene, olive oil;Solubility in water: reaction;Insoluble
    Color/Form
    Water-white to pale yellow liquid;Clear faintly yellow liquid;Colorless to pale yellow, solid or liquid (above 71 °F);Liquid at room temperature ... Darkens on exposure to sunlight
    Complexity
    265
    Covalently-Bonded Unit Count
    1
    EC Number
    209-544-5;607-844-4;617-935-0
    Exact Mass
    174.042927g/mol
    Formal Charge
    0
    Heavy Atom Count
    13
    ICSC Number
    0339
    Log P
    log Kow = 3.74 (est);3.4
    MeSH Entry Terms
    2,4 Toluenediisocyanate;2,4-Diisocyanate, Toluene;2,4-Toluenediisocyanate;Diisocyanate, Toluene;Diisocyanate, Tolylene;Diisocyanatotoluene;Toluene 2,4 Diisocyanate;Toluene 2,4-Diisocyanate;Toluene Diisocyanate;Tolylene Diisocyanate
    Monoisotopic Mass
    174.042927g/mol
    NSC Number
    56759;4791
    Odor
    Sharp, pungent
    Other Experimental
    BP: 126 °C at 11 mm Hg. Reacts with water with evolution of carbon dioxide.;Reacts with compounds containing active hydrogen (may be violent);Concentrated alkaline compounds such as sodium hydroxide or tert-amines may cause run-away polymerization.;Saturated liquid density: 75.879 lb/cu ft; liquid heat capacity: 0.398 Btu/lb-F; liquid thermal conductivity: 1.179 Btu-inch/hr-sq ft-F; liquid viscosity: 3.769 Centipoise (all at 85 °F);Saturated vapor pressure: 0.004 lb/sq in; saturated vapor density: 0.00011 lb/cu ft (all at 130 °F);VP: 0.5 mm Hg at 25 °C /80% 2,4:20% 2,6/;MISCIBLE WITH ALCOHOL, ETHER, ACETONE /80% 2,4:20% 2,6/;MISCIBLE WITH CARBON TETRACHLORIDE /80% 2,4:20% 2,6/;MISCIBLE WITH BENZENE, KEROSENE /80% 2,4:20% 2,6/;Specific gravity: 1.22 at 25 °C; BP: 250 °C; FP: 11.3-13.5 °C /80% 2,4:20% 2,6/;Hydroxyl radical reaction rate constant = 6.26X10-12 cu cm/molec-sec at 25 °C (est)
    Refractive Index
    Index of refraction: 1.5654 at 25 °C/D
    Rotatable Bond Count
    2
    RTECS Number
    CZ6300000
    Stability
    Darkens on exposure to sunlight.
    UNII
    17X7AFZ1GH
    UN Number
    2078;2078;2078;2078
    Vapor Density
    6 (EPA, 1998) (Relative to Air);6.0 (Air = 1);Relative vapor density (air = 1): 6.0;6
    Vapor Pressure
    1 mm Hg at 176 °F (EPA, 1998);0.01 mmHg;8.0X10-3 mm Hg at 20 °C;Vapor pressure, Pa at 20 °C: 1.3;0.01 mmHg at 77°F;(77°F): 0.01 mmHg
    XLogP3
    3.9
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