4-Bromophenyl isocyanate
TL;DR: 4-Bromophenyl isocyanate (CAS 2493-02-9) is a chemical compound with molecular formula C7H4BrNO and molecular weight 196.94763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-isocyanatobenzene
Also Known As: 4-Bromophenyl isocyanate, 1-Bromo-4-isocyanatobenzene, p-Bromocarbanil, p-Bromophenyl isocyanate, 4-Bromophenylisocyanate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrNO |
| Molecular Weight | 196.94763 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.94763 Da |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
| SMILES | C1=CC(=CC=C1N=C=O)Br |
| InChIKey | CZQIJQFTRGDODI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromophenyl isocyanate
Property Insights of 4-Bromophenyl isocyanate
The XLogP value of 3.4 indicates that 4-Bromophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 4-Bromophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl isocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromophenyl isocyanate?
The CAS number of 4-Bromophenyl isocyanate is 2493-02-9.
What is the molecular formula of 4-Bromophenyl isocyanate?
The molecular formula of 4-Bromophenyl isocyanate is C7H4BrNO.
What is the molecular weight of 4-Bromophenyl isocyanate?
The molecular weight of 4-Bromophenyl isocyanate is 196.94763 g/mol.
Where can I buy 4-Bromophenyl isocyanate?
You can request a quote for 4-Bromophenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.