2-(Bromomethyl)benzonitrile
TL;DR: 2-(Bromomethyl)benzonitrile (CAS 22115-41-9) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)benzonitrile
Also Known As: 2-Cyanobenzyl bromide, 2-(Bromomethyl)benzonitrile, alpha-Bromo-o-tolunitrile, o-Cyanobenzyl bromide, 2-cyanobenzylbromide
| Molecular Formula | C8H6BrN |
|---|---|
| Molecular Weight | 194.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.96835 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 22115-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CBr)C#N |
| InChIKey | QGXNHCXKWFNKCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bromomethyl)benzonitrile (CAS 22115-41-9), with molecular formula C8H6BrN and molecular weight 194.97 g/mol. IUPAC: 2-(bromomethyl)benzonitrile.
Chemical Property Profile of 2-(Bromomethyl)benzonitrile
Property Insights of 2-(Bromomethyl)benzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)benzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(Bromomethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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
Frequently Asked Questions
What is the CAS number of 2-(Bromomethyl)benzonitrile?
The CAS number of 2-(Bromomethyl)benzonitrile is 22115-41-9.
What is the molecular formula of 2-(Bromomethyl)benzonitrile?
The molecular formula of 2-(Bromomethyl)benzonitrile is C8H6BrN.
What is the molecular weight of 2-(Bromomethyl)benzonitrile?
The molecular weight of 2-(Bromomethyl)benzonitrile is 194.97 g/mol.
Where can I buy 2-(Bromomethyl)benzonitrile?
You can request a quote for 2-(Bromomethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.