Butanoic acid, 4-(4-chloro-2-methylphenoxy)-
TL;DR: Butanoic acid, 4-(4-chloro-2-methylphenoxy)- (CAS 94-81-5) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-2-methylphenoxy)butanoic acid
Also Known As: MCPB, Thitrol, Trifolex, Bexone, Legumex
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.05533 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 Da |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
| Melting Point | 100 °C; (technical 95-100 °C) |
| Boiling Point | >280 °C |
| Vapor Pressure | 0.00000043 [mmHg] |
| Solubility | SLIGHTLY SOL IN CARBON TETRACHLORIDE OR BENZENE; SOL IN ... ETHER |
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)O |
| InChIKey | LLWADFLAOKUBDR-UHFFFAOYSA-N |
Product Description
Applications: Butanoic acid, 4-(4-chloro-2-methylphenoxy)- 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, Butanoic acid, 4-(4-chloro-2-methylphenoxy)- (CAS 94-81-5) has the molecular formula C11H13ClO3 and a molecular weight of 228.06 g/mol. Reported properties include a solubility: SLIGHTLY SOL IN CARBON TETRACHLORIDE OR BENZENE; SOL IN ... ETHER. Synonyms include MCPB and Thitrol.
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 Butanoic acid, 4-(4-chloro-2-methylphenoxy)-
Property Insights of Butanoic acid, 4-(4-chloro-2-methylphenoxy)-
The XLogP value of 3.6 indicates that Butanoic acid, 4-(4-chloro-2-methylphenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Butanoic acid, 4-(4-chloro-2-methylphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-(4-chloro-2-methylphenoxy)- 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 Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
The CAS number of Butanoic acid, 4-(4-chloro-2-methylphenoxy)- is 94-81-5.
What is the molecular formula of Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
The molecular formula of Butanoic acid, 4-(4-chloro-2-methylphenoxy)- is C11H13ClO3.
What is the molecular weight of Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
The molecular weight of Butanoic acid, 4-(4-chloro-2-methylphenoxy)- is 228.05533 g/mol.
What are the applications of Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
Butanoic acid, 4-(4-chloro-2-methylphenoxy)- 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...
Where can I buy Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
You can request a quote for Butanoic acid, 4-(4-chloro-2-methylphenoxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 4-(4-chloro-2-methylphenoxy)-?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 4-(4-chloro-2-methylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.