2,4,5-Trichlorophenoxyacetic acid butyl ester
TL;DR: 2,4,5-Trichlorophenoxyacetic acid butyl ester (CAS 93-79-8) is a chemical compound with molecular formula C12H13Cl3O3 and molecular weight 309.99304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: Arboricid, Flomore, Tormona, Krzewotoks, Krzewotox
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13Cl3O3 |
| Molecular Weight | 309.99304 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.99304 Da |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
| Melting Point | 82 to 86 °F (NTP, 1992) |
| Boiling Point | 639 °F |
| Density | Density: 1.2 @ 20 °C (liq) /2,4,5-T esters/ |
| Flash Point | 265-420 °F (OPEN CUP) /2,4,5-T ESTERS/ |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | FNEXNZUHBCBQTI-UHFFFAOYSA-N |
Product Description
Applications: 2,4,5-Trichlorophenoxyacetic acid butyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
2,4,5-Trichlorophenoxyacetic acid butyl ester is a heterocyclic building block identified by CAS number 93-79-8 and the molecular formula C12H13Cl3O3 and a molecular weight of 309.99 g/mol. Physically, the compound has a density of Density: 1.2 @ 20 °C (liq) /2,4,5-T esters/ g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). Synonyms include Arboricid and Flomore.
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 2,4,5-Trichlorophenoxyacetic acid butyl ester
Property Insights of 2,4,5-Trichlorophenoxyacetic acid butyl ester
The XLogP value of 4.9 indicates that 2,4,5-Trichlorophenoxyacetic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4,5-Trichlorophenoxyacetic acid butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenoxyacetic acid butyl ester has 0 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 2,4,5-Trichlorophenoxyacetic acid butyl ester?
The CAS number of 2,4,5-Trichlorophenoxyacetic acid butyl ester is 93-79-8.
What is the molecular formula of 2,4,5-Trichlorophenoxyacetic acid butyl ester?
The molecular formula of 2,4,5-Trichlorophenoxyacetic acid butyl ester is C12H13Cl3O3.
What is the molecular weight of 2,4,5-Trichlorophenoxyacetic acid butyl ester?
The molecular weight of 2,4,5-Trichlorophenoxyacetic acid butyl ester is 309.99304 g/mol.
What are the applications of 2,4,5-Trichlorophenoxyacetic acid butyl ester?
2,4,5-Trichlorophenoxyacetic acid butyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis....
Where can I buy 2,4,5-Trichlorophenoxyacetic acid butyl ester?
You can request a quote for 2,4,5-Trichlorophenoxyacetic acid butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trichlorophenoxyacetic acid butyl ester?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trichlorophenoxyacetic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.