2,3,6-Trichlorobenzoic acid
TL;DR: 2,3,6-Trichlorobenzoic acid (CAS 50-31-7) is a chemical compound with molecular formula C7H3Cl3O2 and molecular weight 223.91986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,6-trichlorobenzoic acid
Also Known As: 2,3,6-TRICHLOROBENZOIC ACID, Trysben, Benzabar, Tribac, Fen-all
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl3O2 |
| Molecular Weight | 223.91986 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.91986 Da |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| Melting Point | 124.5 °C |
| Vapor Pressure | 0.00055 [mmHg] |
| Solubility | Soluble in ethyl ether |
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl |
| InChIKey | XZIDTOHMJBOSOX-UHFFFAOYSA-N |
Product Description
Applications: 2,3,6-Trichlorobenzoic acid is used in agrochemical development, including crop protection agent 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).
2,3,6-Trichlorobenzoic acid is a agrochemical intermediate identified by CAS number 50-31-7 and the molecular formula C7H3Cl3O2 and a molecular weight of 223.92 g/mol. Physically, the compound has a solubility: Soluble in ethyl ether. Synonyms include 2,3,6-TRICHLOROBENZOIC ACID and Trysben.
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 2,3,6-Trichlorobenzoic acid
Property Insights of 2,3,6-Trichlorobenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trichlorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,6-Trichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trichlorobenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3,6-Trichlorobenzoic acid?
The CAS number of 2,3,6-Trichlorobenzoic acid is 50-31-7.
What is the molecular formula of 2,3,6-Trichlorobenzoic acid?
The molecular formula of 2,3,6-Trichlorobenzoic acid is C7H3Cl3O2.
What is the molecular weight of 2,3,6-Trichlorobenzoic acid?
The molecular weight of 2,3,6-Trichlorobenzoic acid is 223.91986 g/mol.
What are the applications of 2,3,6-Trichlorobenzoic acid?
2,3,6-Trichlorobenzoic acid is used in agrochemical development, including crop protection agent 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...
Where can I buy 2,3,6-Trichlorobenzoic acid?
You can request a quote for 2,3,6-Trichlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,6-Trichlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,3,6-Trichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.