3-Phenoxybenzyl chloride
TL;DR: 3-Phenoxybenzyl chloride (CAS 53874-66-1) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-3-phenoxybenzene
Also Known As: 3-Phenoxybenzyl chloride, 1-(Chloromethyl)-3-phenoxybenzene, m-Phenoxybenzyl chloride, 3-Phenoxybenzylchloride, Permethrin EP Impurity E
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11ClO |
| Molecular Weight | 218.04984 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04984 Da |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CCl |
| InChIKey | QUYVTGFWFHQVRO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenoxybenzyl chloride
Property Insights of 3-Phenoxybenzyl chloride
The XLogP value of 3.8 indicates that 3-Phenoxybenzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Phenoxybenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxybenzyl chloride has 0 hydrogen bond donor(s) and 1 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-Phenoxybenzyl chloride?
The CAS number of 3-Phenoxybenzyl chloride is 53874-66-1.
What is the molecular formula of 3-Phenoxybenzyl chloride?
The molecular formula of 3-Phenoxybenzyl chloride is C13H11ClO.
What is the molecular weight of 3-Phenoxybenzyl chloride?
The molecular weight of 3-Phenoxybenzyl chloride is 218.04984 g/mol.
Where can I buy 3-Phenoxybenzyl chloride?
You can request a quote for 3-Phenoxybenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenoxybenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 3-Phenoxybenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.