Toluene-2,4-Diisocyanate - Materials / Alfa Chemistry

NAVIGATION

Toluene-2,4-Diisocyanate

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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

EC Number

209-544-5;607-844-4;617-935-0

Exact Mass

174.042927g/mol

Formal Charge

Heavy Atom Count

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

RTECS Number

CZ6300000

Stability

Darkens on exposure to sunlight.

UNII

17X7AFZ1GH

UN Number

2078;2078;2078;2078

Vapor Density