1-Chloro-2,6-dimethylbenzene
TL;DR: 1-Chloro-2,6-dimethylbenzene (CAS 6781-98-2) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-dimethylbenzene
Also Known As: 2-Chloro-1,3-dimethylbenzene, 2-Chloro-m-xylene, 2,6-Dimethylchlorobenzene, m-Xylene, 2-chloro-, 2-chloro-meta-xylene
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 6781-98-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)Cl |
| InChIKey | VDXLAYAQGYCQEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,6-dimethylbenzene (CAS 6781-98-2), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 2-chloro-1,3-dimethylbenzene.
Chemical Property Profile of 1-Chloro-2,6-dimethylbenzene
Property Insights of 1-Chloro-2,6-dimethylbenzene
The XLogP value of 3.3 indicates that 1-Chloro-2,6-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2,6-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,6-dimethylbenzene 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 1-Chloro-2,6-dimethylbenzene?
The CAS number of 1-Chloro-2,6-dimethylbenzene is 6781-98-2.
What is the molecular formula of 1-Chloro-2,6-dimethylbenzene?
The molecular formula of 1-Chloro-2,6-dimethylbenzene is C8H9Cl.
What is the molecular weight of 1-Chloro-2,6-dimethylbenzene?
The molecular weight of 1-Chloro-2,6-dimethylbenzene is 140.04 g/mol.
Where can I buy 1-Chloro-2,6-dimethylbenzene?
You can request a quote for 1-Chloro-2,6-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,6-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,6-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.