二苯基甲烷二異氰酸酯
TL;DR: 二苯基甲烷二異氰酸酯 (CAS 101-68-8) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯基甲烷二異氰酸酯
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: Isonate, 4,4'-Diphenylmethane diisocyanate, Diphenylmethane diisocyanate, Desmodur 44, Caradate 30
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| Melting Point | 37.2 °C |
| Boiling Point | 381 to 198.9 °C at 5 mmHg |
| Density | 1.2 at 20.0 °C |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 218.3 °C |
| Vapor Pressure | 5e-06 mmHg at 25.0 °C |
| Refractive Index | 1.5906 at 50 °C |
Chemical Identifiers
| CAS Number | 101-68-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯基甲烷二異氰酸酯 (CAS 101-68-8), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of 二苯基甲烷二異氰酸酯
Property Insights of 二苯基甲烷二異氰酸酯
The XLogP value of 5.4 indicates that 二苯基甲烷二異氰酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 二苯基甲烷二異氰酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯基甲烷二異氰酸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二苯基甲烷二異氰酸酯?
The CAS number of 二苯基甲烷二異氰酸酯 is 101-68-8.
What is the molecular formula of 二苯基甲烷二異氰酸酯?
The molecular formula of 二苯基甲烷二異氰酸酯 is C15H10N2O2.
What is the molecular weight of 二苯基甲烷二異氰酸酯?
The molecular weight of 二苯基甲烷二異氰酸酯 is 250.07 g/mol.
Where can I buy 二苯基甲烷二異氰酸酯?
You can request a quote for 二苯基甲烷二異氰酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基甲烷二異氰酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二苯基甲烷二異氰酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.