2,6-Dimethylbenzyl Chloride
TL;DR: 2,6-Dimethylbenzyl Chloride (CAS 61471-45-2) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,3-dimethylbenzene
Also Known As: 2,6-Dimethylbenzyl Chloride, 2-(chloromethyl)-1,3-dimethylbenzene, 2,6-dimethylbenzylchloride, null, 2,6-Dimethyl benzylchloride
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 61471-45-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)CCl |
| InChIKey | HPVRFWQMBYLJRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylbenzyl Chloride (CAS 61471-45-2), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 2-(chloromethyl)-1,3-dimethylbenzene.
Chemical Property Profile of 2,6-Dimethylbenzyl Chloride
Property Insights of 2,6-Dimethylbenzyl Chloride
The XLogP value of 3.0 indicates that 2,6-Dimethylbenzyl 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, 2,6-Dimethylbenzyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylbenzyl 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 2,6-Dimethylbenzyl Chloride?
The CAS number of 2,6-Dimethylbenzyl Chloride is 61471-45-2.
What is the molecular formula of 2,6-Dimethylbenzyl Chloride?
The molecular formula of 2,6-Dimethylbenzyl Chloride is C9H11Cl.
What is the molecular weight of 2,6-Dimethylbenzyl Chloride?
The molecular weight of 2,6-Dimethylbenzyl Chloride is 154.05 g/mol.
Where can I buy 2,6-Dimethylbenzyl Chloride?
You can request a quote for 2,6-Dimethylbenzyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylbenzyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylbenzyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.