2,3,6-Trichlorotoluene
TL;DR: 2,3,6-Trichlorotoluene (CAS 2077-46-5) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3-methylbenzene
Also Known As: 2,3,6-TRICHLOROTOLUENE, Benzene, 1,2,4-trichloro-3-methyl-, 1,2,4-Trichloro-3-methylbenzene, Toluene, 2,3,6-trichloro-, 2,3,6-TRICHOROTOLUENE
| Molecular Formula | C7H5Cl3 |
|---|---|
| Molecular Weight | 193.95 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.94568 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 2077-46-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1Cl)Cl)Cl |
| InChIKey | UZYYBZNZSSNYSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trichlorotoluene (CAS 2077-46-5), with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol. IUPAC: 1,2,4-trichloro-3-methylbenzene.
Chemical Property Profile of 2,3,6-Trichlorotoluene
Property Insights of 2,3,6-Trichlorotoluene
The XLogP value of 4.1 indicates that 2,3,6-Trichlorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,6-Trichlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trichlorotoluene 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 2,3,6-Trichlorotoluene?
The CAS number of 2,3,6-Trichlorotoluene is 2077-46-5.
What is the molecular formula of 2,3,6-Trichlorotoluene?
The molecular formula of 2,3,6-Trichlorotoluene is C7H5Cl3.
What is the molecular weight of 2,3,6-Trichlorotoluene?
The molecular weight of 2,3,6-Trichlorotoluene is 193.95 g/mol.
Where can I buy 2,3,6-Trichlorotoluene?
You can request a quote for 2,3,6-Trichlorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trichlorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trichlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.