3,4-Dichlorobenzyl chloride
TL;DR: 3,4-Dichlorobenzyl chloride (CAS 102-47-6) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.94568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-4-(chloromethyl)benzene
Also Known As: 3,4-Dichlorobenzyl chloride, 1,2-DICHLORO-4-(CHLOROMETHYL)BENZENE, alpha,3,4-Trichlorotoluene, Benzene, 1,2-dichloro-4-(chloromethyl)-, .alpha.,3,4-Trichlorotoluene
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 193.94568 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.94568 Da |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| InChIKey | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dichlorobenzyl chloride
Property Insights of 3,4-Dichlorobenzyl chloride
The XLogP value of 4.0 indicates that 3,4-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, 3,4-Dichlorobenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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
What is the CAS number of 3,4-Dichlorobenzyl chloride?
The CAS number of 3,4-Dichlorobenzyl chloride is 102-47-6.
What is the molecular formula of 3,4-Dichlorobenzyl chloride?
The molecular formula of 3,4-Dichlorobenzyl chloride is C7H5Cl3.
What is the molecular weight of 3,4-Dichlorobenzyl chloride?
The molecular weight of 3,4-Dichlorobenzyl chloride is 193.94568 g/mol.
Where can I buy 3,4-Dichlorobenzyl chloride?
You can request a quote for 3,4-Dichlorobenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorobenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorobenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.