p-(Trifluoromethoxy)phenyl isocyanate
TL;DR: p-(Trifluoromethoxy)phenyl isocyanate (CAS 35037-73-1) is a chemical compound with molecular formula C8H4F3NO2 and molecular weight 203.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyanato-4-(trifluoromethoxy)benzene
Also Known As: 4-(Trifluoromethoxy)phenyl isocyanate, 1-Isocyanato-4-(trifluoromethoxy)benzene, Azoxydapsone, Topic, 4-trifluoromethoxyphenylisocyanate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4F3NO2 |
| Molecular Weight | 203.01941 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.01941 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | C1=CC(=CC=C1N=C=O)OC(F)(F)F |
| InChIKey | LGPKFIGMLPDYEA-UHFFFAOYSA-N |
Chemical Property Profile of p-(Trifluoromethoxy)phenyl isocyanate
Property Insights of p-(Trifluoromethoxy)phenyl isocyanate
The XLogP value of 3.9 indicates that p-(Trifluoromethoxy)phenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, p-(Trifluoromethoxy)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(Trifluoromethoxy)phenyl isocyanate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-(Trifluoromethoxy)phenyl isocyanate?
The CAS number of p-(Trifluoromethoxy)phenyl isocyanate is 35037-73-1.
What is the molecular formula of p-(Trifluoromethoxy)phenyl isocyanate?
The molecular formula of p-(Trifluoromethoxy)phenyl isocyanate is C8H4F3NO2.
What is the molecular weight of p-(Trifluoromethoxy)phenyl isocyanate?
The molecular weight of p-(Trifluoromethoxy)phenyl isocyanate is 203.01941 g/mol.
Where can I buy p-(Trifluoromethoxy)phenyl isocyanate?
You can request a quote for p-(Trifluoromethoxy)phenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-(Trifluoromethoxy)phenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for p-(Trifluoromethoxy)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.