Bis(isocyanatomethyl)benzene
TL;DR: Bis(isocyanatomethyl)benzene (CAS 116846-29-8) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(isocyanatomethyl)benzene
Also Known As: Xylylene diisocyanate, 1,2-bis(isocyanatomethyl)benzene, Bis(isocyanatomethyl)benzene, xylene diisocyanate, o-xylylene diisocyanate
Technical Specifications
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | C1=CC=C(C(=C1)CN=C=O)CN=C=O |
| InChIKey | FKTHNVSLHLHISI-UHFFFAOYSA-N |
Chemical Property Profile of Bis(isocyanatomethyl)benzene
Property Insights of Bis(isocyanatomethyl)benzene
The XLogP value of 3.4 indicates that Bis(isocyanatomethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Bis(isocyanatomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(isocyanatomethyl)benzene 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 Bis(isocyanatomethyl)benzene?
The CAS number of Bis(isocyanatomethyl)benzene is 116846-29-8.
What is the molecular formula of Bis(isocyanatomethyl)benzene?
The molecular formula of Bis(isocyanatomethyl)benzene is C10H8N2O2.
What is the molecular weight of Bis(isocyanatomethyl)benzene?
The molecular weight of Bis(isocyanatomethyl)benzene is 188.05858 g/mol.
Where can I buy Bis(isocyanatomethyl)benzene?
You can request a quote for Bis(isocyanatomethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(isocyanatomethyl)benzene?
Yes, CoreyChem provides custom synthesis services for Bis(isocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.