2,4-Difluorophenyl isocyanate
TL;DR: 2,4-Difluorophenyl isocyanate (CAS 148870-60-4) is a chemical compound with molecular formula C7H3F2NO and molecular weight 155.01826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-difluoro-1-isocyanatobenzene
Also Known As: 2,4-Difluorophenyl isocyanate, 2,4-Difluoro-1-isocyanatobenzene, 2,4-Difluorophenylisocyanate, 2,4-difluoro-1-isocyanato-benzene, 2-Furanmethanethiol formate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3F2NO |
| Molecular Weight | 155.01826 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.01826 Da |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| SMILES | C1=CC(=C(C=C1F)F)N=C=O |
| InChIKey | HNENEALJPWJWJY-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Difluorophenyl isocyanate
Property Insights of 2,4-Difluorophenyl isocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluorophenyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, 2,4-Difluorophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluorophenyl isocyanate 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 2,4-Difluorophenyl isocyanate?
The CAS number of 2,4-Difluorophenyl isocyanate is 148870-60-4.
What is the molecular formula of 2,4-Difluorophenyl isocyanate?
The molecular formula of 2,4-Difluorophenyl isocyanate is C7H3F2NO.
What is the molecular weight of 2,4-Difluorophenyl isocyanate?
The molecular weight of 2,4-Difluorophenyl isocyanate is 155.01826 g/mol.
Where can I buy 2,4-Difluorophenyl isocyanate?
You can request a quote for 2,4-Difluorophenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Difluorophenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 2,4-Difluorophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.