2,4,6-Trimethylbenzyl chloride
TL;DR: 2,4,6-Trimethylbenzyl chloride (CAS 1585-16-6) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)-1,3,5-trimethylbenzene
Also Known As: 2,4,6-Trimethylbenzyl chloride, alpha-2-Chloroisodurene, 2-(Chloromethyl)-1,3,5-trimethylbenzene, alpha2-Chloroisodurene, Mesitylmethanol
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.07057 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 Da |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| SMILES | CC1=CC(=C(C(=C1)C)CCl)C |
| InChIKey | UNRGEIXQCZHICP-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Trimethylbenzyl chloride
Property Insights of 2,4,6-Trimethylbenzyl chloride
The XLogP value of 3.4 indicates that 2,4,6-Trimethylbenzyl 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, 2,4,6-Trimethylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzyl 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 2,4,6-Trimethylbenzyl chloride?
The CAS number of 2,4,6-Trimethylbenzyl chloride is 1585-16-6.
What is the molecular formula of 2,4,6-Trimethylbenzyl chloride?
The molecular formula of 2,4,6-Trimethylbenzyl chloride is C10H13Cl.
What is the molecular weight of 2,4,6-Trimethylbenzyl chloride?
The molecular weight of 2,4,6-Trimethylbenzyl chloride is 168.07057 g/mol.
Where can I buy 2,4,6-Trimethylbenzyl chloride?
You can request a quote for 2,4,6-Trimethylbenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trimethylbenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trimethylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.