2,4-Dichlorobenzyl chloride
TL;DR: 2,4-Dichlorobenzyl chloride (CAS 94-99-5) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-1-(chloromethyl)benzene
Also Known As: 2,4-Dichlorobenzyl chloride, 2,4-Dichloro-1-(chloromethyl)benzene, 2,4-dichlorobenzylchloride, alpha,2,4-Trichlorotoluene, alpha2,4-Trichlorotoluene
| Molecular Formula | C7H5Cl3 |
|---|---|
| Molecular Weight | 193.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.94568 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 94-99-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CCl |
| InChIKey | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichlorobenzyl chloride (CAS 94-99-5), with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol. IUPAC: 2,4-dichloro-1-(chloromethyl)benzene.
Chemical Property Profile of 2,4-Dichlorobenzyl chloride
Property Insights of 2,4-Dichlorobenzyl chloride
The XLogP value of 3.8 indicates that 2,4-Dichlorobenzyl 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, 2,4-Dichlorobenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 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 2,4-Dichlorobenzyl chloride?
The CAS number of 2,4-Dichlorobenzyl chloride is 94-99-5.
What is the molecular formula of 2,4-Dichlorobenzyl chloride?
The molecular formula of 2,4-Dichlorobenzyl chloride is C7H5Cl3.
What is the molecular weight of 2,4-Dichlorobenzyl chloride?
The molecular weight of 2,4-Dichlorobenzyl chloride is 193.95 g/mol.
Where can I buy 2,4-Dichlorobenzyl chloride?
You can request a quote for 2,4-Dichlorobenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.