(4-chloro-2-Methylphenoxy)acetic acid
TL;DR: (4-chloro-2-Methylphenoxy)acetic acid (CAS 94-74-6) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2-methylphenoxy)acetic acid
Also Known As: MCPA, Agroxone, Zelan, Methoxone, Mephanac
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.02402 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| Melting Point | 118-119 °C |
| Density | 1.56 @ 25 °C/15.5 °C |
| Vapor Pressure | 0.0000059 [mmHg] |
| Solubility | Solubility: in water 270 g/l, methanol 340 g/l, benzene 1 g/l /2-Methyl-4-chlorophenoxyacetic acid sodium salt/ |
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O |
| InChIKey | WHKUVVPPKQRRBV-UHFFFAOYSA-N |
Product Description
Applications: (4-chloro-2-Methylphenoxy)acetic 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).
A agrochemical intermediate supplied by CoreyChem, (4-chloro-2-Methylphenoxy)acetic acid (CAS 94-74-6) has the molecular formula C9H9ClO3 and a molecular weight of 200.02 g/mol. Reported properties include a density of 1.56 @ 25 °C/15.5 °C g/cm³, a solubility: Solubility: in water 270 g/l, methanol 340 g/l, benzene 1 g/l /2-Methyl-4-chlorophenoxyacetic acid sodium salt/. Synonyms include MCPA and Agroxone.
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 (4-chloro-2-Methylphenoxy)acetic acid
Property Insights of (4-chloro-2-Methylphenoxy)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chloro-2-Methylphenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (4-chloro-2-Methylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chloro-2-Methylphenoxy)acetic 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 (4-chloro-2-Methylphenoxy)acetic acid?
The CAS number of (4-chloro-2-Methylphenoxy)acetic acid is 94-74-6.
What is the molecular formula of (4-chloro-2-Methylphenoxy)acetic acid?
The molecular formula of (4-chloro-2-Methylphenoxy)acetic acid is C9H9ClO3.
What is the molecular weight of (4-chloro-2-Methylphenoxy)acetic acid?
The molecular weight of (4-chloro-2-Methylphenoxy)acetic acid is 200.02402 g/mol.
What are the applications of (4-chloro-2-Methylphenoxy)acetic acid?
(4-chloro-2-Methylphenoxy)acetic 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...
Where can I buy (4-chloro-2-Methylphenoxy)acetic acid?
You can request a quote for (4-chloro-2-Methylphenoxy)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-chloro-2-Methylphenoxy)acetic acid?
Yes, CoreyChem provides custom synthesis services for (4-chloro-2-Methylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.