p-Bromobenzyl chloride
TL;DR: p-Bromobenzyl chloride (CAS 589-17-3) is a chemical compound with molecular formula C7H6BrCl and molecular weight 203.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(chloromethyl)benzene
Also Known As: 4-Bromobenzyl Chloride, 1-Bromo-4-(chloromethyl)benzene, p-Bromobenzyl chloride, 4-bromobenzylchloride, 4-Bromo-alpha-chlorotoluene
| Molecular Formula | C7H6BrCl |
|---|---|
| Molecular Weight | 203.93 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.93414 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 589-17-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)Br |
| InChIKey | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Bromobenzyl chloride (CAS 589-17-3), with molecular formula C7H6BrCl and molecular weight 203.93 g/mol. IUPAC: 1-bromo-4-(chloromethyl)benzene.
Chemical Property Profile of p-Bromobenzyl chloride
Property Insights of p-Bromobenzyl chloride
The XLogP value of 3.2 indicates that p-Bromobenzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-Bromobenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromobenzyl chloride 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 p-Bromobenzyl chloride?
The CAS number of p-Bromobenzyl chloride is 589-17-3.
What is the molecular formula of p-Bromobenzyl chloride?
The molecular formula of p-Bromobenzyl chloride is C7H6BrCl.
What is the molecular weight of p-Bromobenzyl chloride?
The molecular weight of p-Bromobenzyl chloride is 203.93 g/mol.
Where can I buy p-Bromobenzyl chloride?
You can request a quote for p-Bromobenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Bromobenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Bromobenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.