Metolachlor
TL;DR: Metolachlor (CAS 51218-45-2) is a chemical compound with molecular formula C15H22ClNO2 and molecular weight 283.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Also Known As: metolachlor, Pennant, Codal, Dual, Yibingjiacaoan
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H22ClNO2 |
| Molecular Weight | 283.1339 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.1339 Da |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
| Melting Point | -62.1 °C |
| Boiling Point | 212 °F at 0.001 mmHg (USCG, 1999) |
| Density | 1.12 (USCG, 1999) - Denser than water; will sink |
| Flash Point | greater than 230 °F (USCG, 1999) |
| Vapor Pressure | 0.0000314 [mmHg] |
| Refractive Index | Index of refraction: 1.5301 at 20 °C/D |
| Solubility | Miscible with benzene, toluene, ethanol, acetone, xylene, hexane, dimethylformamide, dichloroethane, cyclohexanone, methanol, octanol, and dichloromethane. Insoluble in ethylene glycol, propylene glycol, and petroleum ether. |
| SMILES | CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C |
| InChIKey | WVQBLGZPHOPPFO-UHFFFAOYSA-N |
Product Description
Applications: Metolachlor 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).
Metolachlor (CAS 51218-45-2) is a agrochemical intermediate with the molecular formula C15H22ClNO2 and a molecular weight of 283.13 g/mol. Key physical properties include a density of 1.12 (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Miscible with benzene, toluene, ethanol, acetone, xylene, hexane, dimethylformamide, dichloroethane, cyclohexanone, methanol, octanol, and dichloromethane. Insoluble in ethylene glycol, propylene glycol, and petroleum ether. Synonyms include metolachlor and Pennant.
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 Metolachlor
Property Insights of Metolachlor
The XLogP value of 3.1 indicates that Metolachlor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Metolachlor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metolachlor has 0 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 Metolachlor?
The CAS number of Metolachlor is 51218-45-2.
What is the molecular formula of Metolachlor?
The molecular formula of Metolachlor is C15H22ClNO2.
What is the molecular weight of Metolachlor?
The molecular weight of Metolachlor is 283.1339 g/mol.
What are the applications of Metolachlor?
Metolachlor 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...
Where can I buy Metolachlor?
You can request a quote for Metolachlor directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Metolachlor?
Yes, CoreyChem provides custom synthesis services for Metolachlor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.