Toluene 2,6-diisocyanate (CAS No. 91-08-7) is an aromatic organic compound belonging to the isocyanate class. It has the molecular formula C₉H₆N₂O₂ and a molecular weight of 174.16. At room temperature, it appears as a colorless to pale yellow transparent liquid, with a density of 1.225 g/mL at 25°C, a boiling point of 129–133°C at 18 mmHg, a flash point above 230°F (approximately 127°C), and a vapor pressure of 2 Pa at 20°C.
It is soluble in benzene and acetone. Toluene 2,6-diisocyanate reacts violently with water and polymerizes rapidly in the presence of alkalis. It is flammable and incompatible with strong oxidizing agents. The compound is mainly used as a monomer in the production of polyurethane flexible foams, coatings, and elastomers.
| English Name | 2-METHYL-M-PHENYLENE DIISOCYANATE |
| English Synonyms | 1,3-diisocyanato-2-methyl-benzen;1,3-Diisocyanato-2-methylbenzene;2,6-diisocyanato-1-methyl-benzen; 2,6-Diisocyanato-1-methylbenzene;2,6-Toluenediiosocyanate;Isocyanic acid, 2-methyl-m-phenylene ester;i socyanicacid,2-methyl-meta-phenyleneester;isocyanicacid,2-methyl-m-phenyleneester |
| CAS Number | 1991/8/7 |
| Molecular Formula | C9H6N202 |
| Molecular Weight | 174.16 |
| EINECS Number | 202-039-0 |
| Melting point | 13℃ |
| Boiling point | 129-133 °C18 mm Hg(lit.) |
| Density | 1.225 g/mL at 25 °C(lit.) |
| Vapor pressure | 2.78Pa at 25℃ |
| Refractive index | n20/D 1.571(lit.) |
| Flash point | >230 °F |
| Storage conditions | -20℃ |
| Form | Liquid |
| Color | Transparent and colorless to pale yellow |
| Water solubility | It hydrolyzes in water. |
| Sensitivity | Moisture Sensitive |
| BRN | 2211546 |
| Exposure limit | ACGIH TLV-TWA:0.001 ppm (0.007 mg/m3),Inhalable fraction and vapor;TLV-STEL:0.005 ppm (0.035 mg/m 3),Inhalable fraction and vapor |
| Stability | Reacts violently with water. Reacts very rapidly with compounds containing active hydrogen (such as amines, alcohols, and acids). Polymerizes rapidly in the presence of a base. Flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3 |
| InChIKey | RUELTTOHQODFPA-UHFFFAOYSA-N |
| SMILES | Cc1c(cccc1N=C=O)N=C=O |
| LogP | 3.74 |
Applications
Uses: Toluene 2,6-diisocyanate serves as an important building block for polyurethane foams used in bedding, furniture, and automotive seating. It is also used in the production of sealants and adhesives.
