1-(Bromomethyl)-4-(chloromethyl)benzene
TL;DR: 1-(Bromomethyl)-4-(chloromethyl)benzene (CAS 59138-96-4) is a chemical compound with molecular formula C8H8BrCl and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-(chloromethyl)benzene
Also Known As: 1-(Bromomethyl)-4-(chloromethyl)benzene, 1-(Bromomethyl)-4-(chloromethyl)benzene #, Benzene, 1-(bromomethyl)-4-(chloromethyl)-, RefChem:226214
| Molecular Formula | C8H8BrCl |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.94978 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 59138-96-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)CBr |
| InChIKey | LPUCOJZTMPWERO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Bromomethyl)-4-(chloromethyl)benzene (CAS 59138-96-4), with molecular formula C8H8BrCl and molecular weight 217.95 g/mol. IUPAC: 1-(bromomethyl)-4-(chloromethyl)benzene.
Chemical Property Profile of 1-(Bromomethyl)-4-(chloromethyl)benzene
Property Insights of 1-(Bromomethyl)-4-(chloromethyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bromomethyl)-4-(chloromethyl)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Bromomethyl)-4-(chloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-(chloromethyl)benzene has 0 hydrogen bond donor(s) and 0 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 1-(Bromomethyl)-4-(chloromethyl)benzene?
The CAS number of 1-(Bromomethyl)-4-(chloromethyl)benzene is 59138-96-4.
What is the molecular formula of 1-(Bromomethyl)-4-(chloromethyl)benzene?
The molecular formula of 1-(Bromomethyl)-4-(chloromethyl)benzene is C8H8BrCl.
What is the molecular weight of 1-(Bromomethyl)-4-(chloromethyl)benzene?
The molecular weight of 1-(Bromomethyl)-4-(chloromethyl)benzene is 217.95 g/mol.
Where can I buy 1-(Bromomethyl)-4-(chloromethyl)benzene?
You can request a quote for 1-(Bromomethyl)-4-(chloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-(chloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-(chloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.