2,4,6-Trichloroanisole
TL;DR: 2,4,6-Trichloroanisole (CAS 87-40-1) is a chemical compound with molecular formula C7H5Cl3O and molecular weight 209.9406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-trichloro-2-methoxybenzene
Also Known As: 2,4,6-TRICHLOROANISOLE, Tyrene, 1,3,5-Trichloro-2-methoxybenzene, TRICHLOROANISOLE, 2,4,6-Trichloro
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl3O |
| Molecular Weight | 209.9406 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.9406 Da |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
| Melting Point | 61 - 62 °C |
| Boiling Point | 241.00 °C. @ 760.00 mm Hg |
| Solubility | 0.01 mg/mL at 20 °C |
| SMILES | COC1=C(C=C(C=C1Cl)Cl)Cl |
| InChIKey | WCVOGSZTONGSQY-UHFFFAOYSA-N |
Product Description
Applications: 2,4,6-Trichloroanisole is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,4,6-Trichloroanisole is a polymer intermediate identified by CAS number 87-40-1 and the molecular formula C7H5Cl3O and a molecular weight of 209.94 g/mol. Physically, the compound has a solubility: 0.01 mg/mL at 20 °C. Synonyms include 2,4,6-TRICHLOROANISOLE and Tyrene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4,6-Trichloroanisole
Property Insights of 2,4,6-Trichloroanisole
The XLogP value of 4.0 indicates that 2,4,6-Trichloroanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,4,6-Trichloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichloroanisole has 0 hydrogen bond donor(s) and 1 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-Trichloroanisole?
The CAS number of 2,4,6-Trichloroanisole is 87-40-1.
What is the molecular formula of 2,4,6-Trichloroanisole?
The molecular formula of 2,4,6-Trichloroanisole is C7H5Cl3O.
What is the molecular weight of 2,4,6-Trichloroanisole?
The molecular weight of 2,4,6-Trichloroanisole is 209.9406 g/mol.
What are the applications of 2,4,6-Trichloroanisole?
2,4,6-Trichloroanisole is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2,4,6-Trichloroanisole?
You can request a quote for 2,4,6-Trichloroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trichloroanisole?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trichloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.