二異氰酸甲苯
TL;DR: 二異氰酸甲苯 (CAS 584-84-9) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二異氰酸甲苯
2,4-diisocyanato-1-methylbenzene
Also Known As: TOLUENE DIISOCYANATE, 2,4-Toluene diisocyanate, 2,4-Diisocyanato-1-methylbenzene, 2,4-Diisocyanatotoluene, Hylene tlc
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
| Melting Point | 67.1 to 21.5 °C |
| Boiling Point | 251.1 °C at 760 mmHg |
| Density | 1.2244 at 20.0 °C |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | 132.2 °C |
| Vapor Pressure | 1 mmHg at 80.0 °C |
| Refractive Index | 1.5654 at 25 °C |
Chemical Identifiers
| CAS Number | 584-84-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O |
| InChIKey | DVKJHBMWWAPEIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二異氰酸甲苯 (CAS 584-84-9), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 2,4-diisocyanato-1-methylbenzene.
Chemical Property Profile of 二異氰酸甲苯
Property Insights of 二異氰酸甲苯
The XLogP value of 3.9 indicates that 二異氰酸甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 二異氰酸甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二異氰酸甲苯 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
Frequently Asked Questions
What is the CAS number of 二異氰酸甲苯?
The CAS number of 二異氰酸甲苯 is 584-84-9.
What is the molecular formula of 二異氰酸甲苯?
The molecular formula of 二異氰酸甲苯 is C9H6N2O2.
What is the molecular weight of 二異氰酸甲苯?
The molecular weight of 二異氰酸甲苯 is 174.04 g/mol.
Where can I buy 二異氰酸甲苯?
You can request a quote for 二異氰酸甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二異氰酸甲苯?
Yes, KEHONG BIO provides custom synthesis services for 二異氰酸甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.