2,6-Dichlorotoluene
TL;DR: 2,6-Dichlorotoluene (CAS 118-69-4) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-methylbenzene
Also Known As: 2,6-DICHLOROTOLUENE, 1,3-Dichloro-2-methylbenzene, Toluene, 2,6-dichloro-, Benzene, 1,3-dichloro-2-methyl-, 2,6-dichlortoluol
| Molecular Formula | C7H6Cl2 |
|---|---|
| Molecular Weight | 159.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.98465 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
| Melting Point | 25.8 °C |
| Boiling Point | 198 °C @ 760 mm Hg |
| Density | 1268.6 kg/cu m @ 20 °C |
| Solubility | Soluble in chloroform |
| Flash Point | 82 °C |
| Vapor Pressure | 0.35 [mmHg] |
| Refractive Index | 1.5507 @ 20 °C |
Chemical Identifiers
| CAS Number | 118-69-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)Cl |
| InChIKey | DMEDNTFWIHCBRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dichlorotoluene (CAS 118-69-4), with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol. IUPAC: 1,3-dichloro-2-methylbenzene.
Chemical Property Profile of 2,6-Dichlorotoluene
Property Insights of 2,6-Dichlorotoluene
The XLogP value of 4.3 indicates that 2,6-Dichlorotoluene 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-Dichlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorotoluene 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-Dichlorotoluene?
The CAS number of 2,6-Dichlorotoluene is 118-69-4.
What is the molecular formula of 2,6-Dichlorotoluene?
The molecular formula of 2,6-Dichlorotoluene is C7H6Cl2.
What is the molecular weight of 2,6-Dichlorotoluene?
The molecular weight of 2,6-Dichlorotoluene is 159.98 g/mol.
Where can I buy 2,6-Dichlorotoluene?
You can request a quote for 2,6-Dichlorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.