4-(Bromomethyl)benzonitrile
TL;DR: 4-(Bromomethyl)benzonitrile (CAS 17201-43-3) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.96835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)benzonitrile
Also Known As: 4-Cyanobenzyl bromide, 4-(Bromomethyl)benzonitrile, p-Cyanobenzyl bromide, alpha-Bromo-p-tolunitrile, Benzonitrile, 4-(bromomethyl)-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6BrN |
| Molecular Weight | 194.96835 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.96835 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | C1=CC(=CC=C1CBr)C#N |
| InChIKey | UMLFTCYAQPPZER-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bromomethyl)benzonitrile
Property Insights of 4-(Bromomethyl)benzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)benzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(Bromomethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)benzonitrile has 0 hydrogen bond donor(s) and 1 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-(Bromomethyl)benzonitrile?
The CAS number of 4-(Bromomethyl)benzonitrile is 17201-43-3.
What is the molecular formula of 4-(Bromomethyl)benzonitrile?
The molecular formula of 4-(Bromomethyl)benzonitrile is C8H6BrN.
What is the molecular weight of 4-(Bromomethyl)benzonitrile?
The molecular weight of 4-(Bromomethyl)benzonitrile is 194.96835 g/mol.
Where can I buy 4-(Bromomethyl)benzonitrile?
You can request a quote for 4-(Bromomethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bromomethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Bromomethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.