3-Fluoro-4-chlorobenzyl chloride
TL;DR: 3-Fluoro-4-chlorobenzyl chloride (CAS 160658-68-4) is a chemical compound with molecular formula C7H5Cl2F and molecular weight 177.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(chloromethyl)-2-fluorobenzene
Also Known As: 3-Fluoro-4-chlorobenzyl chloride, 1-chloro-4-(chloromethyl)-2-fluorobenzene, 4-Chloro-3-fluorobenzyl chloride, 3-fluoro-4-chlorobenzyl, Intermediates-ZCF02210
| Molecular Formula | C7H5Cl2F |
|---|---|
| Molecular Weight | 177.98 g/mol |
| LogP | 3.2179 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.97523 |
| Heavy Atoms | 10 |
| Complexity | 235.04776 |
Chemical Identifiers
| CAS Number | 160658-68-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCl)F)Cl |
Product Overview
3-Fluoro-4-chlorobenzyl chloride (CAS 160658-68-4), with molecular formula C7H5Cl2F and molecular weight 177.98 g/mol. IUPAC: 1-chloro-4-(chloromethyl)-2-fluorobenzene.
Chemical Property Profile of 3-Fluoro-4-chlorobenzyl chloride
Property Insights of 3-Fluoro-4-chlorobenzyl chloride
The XLogP value of 3.2179 indicates that 3-Fluoro-4-chlorobenzyl 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, 3-Fluoro-4-chlorobenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-chlorobenzyl 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 3-Fluoro-4-chlorobenzyl chloride?
The CAS number of 3-Fluoro-4-chlorobenzyl chloride is 160658-68-4.
What is the molecular formula of 3-Fluoro-4-chlorobenzyl chloride?
The molecular formula of 3-Fluoro-4-chlorobenzyl chloride is C7H5Cl2F.
What is the molecular weight of 3-Fluoro-4-chlorobenzyl chloride?
The molecular weight of 3-Fluoro-4-chlorobenzyl chloride is 177.98 g/mol.
Where can I buy 3-Fluoro-4-chlorobenzyl chloride?
You can request a quote for 3-Fluoro-4-chlorobenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-chlorobenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-chlorobenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.