Toluene 2,6-Diisocyanate
TL;DR: Toluene 2,6-Diisocyanate (CAS 91-08-7) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diisocyanato-2-methylbenzene
Also Known As: 2,6-Diisocyanatotoluene, Toluene-2,6-diisocyanate, Toluene 2,6-diisocyanate, 1,3-Diisocyanato-2-methylbenzene, m-Tolylene diisocyanate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.04292 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.04292 Da |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
| Melting Point | 68 to 72 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998) |
| Boiling Point | 264 to 271 °F at 18 mmHg (EPA, 1998) |
| Density | 1.22 at 77 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998) - Denser than water; will sink |
| Flash Point | 270 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998) |
| Vapor Pressure | 0.5 mmHg at 77 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998) |
| Refractive Index | Index of refraction: 1.5708 at 20 °C/D |
| Solubility | Reaction (NTP, 1992) |
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O |
| InChIKey | RUELTTOHQODFPA-UHFFFAOYSA-N |
Product Description
Applications: Toluene 2,6-Diisocyanate is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Toluene 2,6-Diisocyanate is a polymer intermediate identified by CAS number 91-08-7 and the molecular formula C9H6N2O2 and a molecular weight of 174.04 g/mol. Physically, the compound has a density of 1.22 at 77 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: Reaction (NTP, 1992). Synonyms include 2,6-Diisocyanatotoluene and Toluene-2,6-diisocyanate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Toluene 2,6-Diisocyanate
Property Insights of Toluene 2,6-Diisocyanate
The XLogP value of 3.9 indicates that Toluene 2,6-Diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Toluene 2,6-Diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene 2,6-Diisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Toluene 2,6-Diisocyanate?
The CAS number of Toluene 2,6-Diisocyanate is 91-08-7.
What is the molecular formula of Toluene 2,6-Diisocyanate?
The molecular formula of Toluene 2,6-Diisocyanate is C9H6N2O2.
What is the molecular weight of Toluene 2,6-Diisocyanate?
The molecular weight of Toluene 2,6-Diisocyanate is 174.04292 g/mol.
What are the applications of Toluene 2,6-Diisocyanate?
Toluene 2,6-Diisocyanate is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Toluene 2,6-Diisocyanate?
You can request a quote for Toluene 2,6-Diisocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Toluene 2,6-Diisocyanate?
Yes, CoreyChem provides custom synthesis services for Toluene 2,6-Diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.