2,4-D n-butyl ester
TL;DR: 2,4-D n-butyl ester (CAS 94-80-4) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: Lironox, Fernesta, 2,4-D BUTYL ESTER, Butyl 2,4-dichlorophenoxyacetate, 2,4-D-butyl
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14Cl2O3 |
| Molecular Weight | 276.032 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.032 Da |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
| Melting Point | 9 °C |
| Boiling Point | 295 to 297 °F at 1 mmHg (NTP, 1992) |
| Density | 1.235 to 1.245 at 68 °F (NTP, 1992) |
| Flash Point | Greater than 175 °F (open cup) /2,4-D esters/ |
| Vapor Pressure | 0.0000616 [mmHg] |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | UQMRAFJOBWOFNS-UHFFFAOYSA-N |
Product Description
Applications: 2,4-D n-butyl ester is used in agrochemical development, including crop protection agent synthesis, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-D n-butyl ester (CAS 94-80-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, 2,4-D n-butyl ester (CAS 94-80-4) has the molecular formula C12H14Cl2O3 and a molecular weight of 276.03 g/mol. Reported properties include a density of 1.235 to 1.245 at 68 °F (NTP, 1992) g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as Lironox and Fernesta.
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-D n-butyl ester
Property Insights of 2,4-D n-butyl ester
The XLogP value of 4.4 indicates that 2,4-D n-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-D n-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-D n-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-D n-butyl ester?
The CAS number of 2,4-D n-butyl ester is 94-80-4.
What is the molecular formula of 2,4-D n-butyl ester?
The molecular formula of 2,4-D n-butyl ester is C12H14Cl2O3.
What is the molecular weight of 2,4-D n-butyl ester?
The molecular weight of 2,4-D n-butyl ester is 276.032 g/mol.
What are the applications of 2,4-D n-butyl ester?
2,4-D n-butyl ester is used in agrochemical development, including crop protection agent synthesis, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-D n-butyl ester (CAS 94-80-4) with...
Where can I buy 2,4-D n-butyl ester?
You can request a quote for 2,4-D n-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-D n-butyl ester?
Yes, CoreyChem provides custom synthesis services for 2,4-D n-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.