Diphenylmethane diisocyanate
TL;DR: Diphenylmethane diisocyanate (CAS 101-68-8) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: Isonate, 4,4'-Diphenylmethane diisocyanate, Diphenylmethane diisocyanate, Desmodur 44, Caradate 30
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H10N2O2 |
| Molecular Weight | 250.07423 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07423 Da |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| Melting Point | 99 °F (NTP, 1992) |
| Boiling Point | 381 to 390 °F at 5 mmHg (NTP, 1992) |
| Density | 1.2 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 425 °F (NTP, 1992) |
| Vapor Pressure | 5e-06 mmHg at 77 °F (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.5906 at 50 °C/D |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
Product Description
Applications: Diphenylmethane 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. CoreyChem supplies Diphenylmethane diisocyanate (CAS 101-68-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diphenylmethane diisocyanate is a polymer intermediate identified by CAS number 101-68-8 and the molecular formula C15H10N2O2 and a molecular weight of 250.07 g/mol. Physically, the compound has a density of 1.2 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). It is also known as Isonate and 4,4'-Diphenylmethane 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 Diphenylmethane diisocyanate
Property Insights of Diphenylmethane diisocyanate
The XLogP value of 5.4 indicates that Diphenylmethane 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, Diphenylmethane diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylmethane diisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Diphenylmethane diisocyanate?
The CAS number of Diphenylmethane diisocyanate is 101-68-8.
What is the molecular formula of Diphenylmethane diisocyanate?
The molecular formula of Diphenylmethane diisocyanate is C15H10N2O2.
What is the molecular weight of Diphenylmethane diisocyanate?
The molecular weight of Diphenylmethane diisocyanate is 250.07423 g/mol.
What are the applications of Diphenylmethane diisocyanate?
Diphenylmethane 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. CoreyChem supplies Diphenylmethane diisocyanate (CAS 101-68-8)...
Where can I buy Diphenylmethane diisocyanate?
You can request a quote for Diphenylmethane diisocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenylmethane diisocyanate?
Yes, CoreyChem provides custom synthesis services for Diphenylmethane diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.