Trichlorophenoxyacetic acid
TL;DR: Trichlorophenoxyacetic acid (CAS 93-76-5) is a chemical compound with molecular formula C8H5Cl3O3 and molecular weight 253.93042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4,5-trichlorophenoxy)acetic acid
Also Known As: 2,4,5-trichlorophenoxyacetic acid, Fortex, Trioxone, Trioxon, Tippontormona
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5Cl3O3 |
| Molecular Weight | 253.93042 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.93042 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| Melting Point | 316 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.803 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 0 mmHg at 68 °F approximately (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 69.8 °F (NTP, 1992) |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O |
| InChIKey | SMYMJHWAQXWPDB-UHFFFAOYSA-N |
Product Description
Applications: Trichlorophenoxyacetic 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).
Trichlorophenoxyacetic acid (CAS 93-76-5) is a agrochemical intermediate with the molecular formula C8H5Cl3O3 and a molecular weight of 253.93 g/mol. Key physical properties include a density of 1.803 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 69.8 °F (NTP, 1992). Synonyms include 2,4,5-trichlorophenoxyacetic acid and Fortex.
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 Trichlorophenoxyacetic acid
Property Insights of Trichlorophenoxyacetic acid
The XLogP value of 3.3 indicates that Trichlorophenoxyacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Trichlorophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichlorophenoxyacetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichlorophenoxyacetic acid?
The CAS number of Trichlorophenoxyacetic acid is 93-76-5.
What is the molecular formula of Trichlorophenoxyacetic acid?
The molecular formula of Trichlorophenoxyacetic acid is C8H5Cl3O3.
What is the molecular weight of Trichlorophenoxyacetic acid?
The molecular weight of Trichlorophenoxyacetic acid is 253.93042 g/mol.
What are the applications of Trichlorophenoxyacetic acid?
Trichlorophenoxyacetic 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 Trichlorophenoxyacetic acid?
You can request a quote for Trichlorophenoxyacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichlorophenoxyacetic acid?
Yes, CoreyChem provides custom synthesis services for Trichlorophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.