4-Chloro-3-methylphenol
TL;DR: 4-Chloro-3-methylphenol (CAS 59-50-7) is a chemical compound with molecular formula C7H7ClO and molecular weight 142.01854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-methylphenol
Also Known As: 4-Chloro-3-methylphenol, Chlorocresol, 4-Chloro-m-cresol, Ottafact, Baktol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO |
| Molecular Weight | 142.01854 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.01854 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | 151 °F (NTP, 1992) |
| Boiling Point | 455 °F at 760 mmHg (NTP, 1992) |
| Density | 0.9 at 77 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 230 °F (NTP, 1992) |
| Vapor Pressure | 0.05 [mmHg] |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC1=C(C=CC(=C1)O)Cl |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3-methylphenol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-methylphenol (CAS 59-50-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 4-Chloro-3-methylphenol (CAS 59-50-7) has the molecular formula C7H7ClO and a molecular weight of 142.02 g/mol. Reported properties include a density of 0.9 at 77 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 4-Chloro-3-methylphenol and Chlorocresol.
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-3-methylphenol
Property Insights of 4-Chloro-3-methylphenol
The XLogP value of 3.1 indicates that 4-Chloro-3-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-3-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylphenol has 1 hydrogen bond donor(s) and 1 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-3-methylphenol?
The CAS number of 4-Chloro-3-methylphenol is 59-50-7.
What is the molecular formula of 4-Chloro-3-methylphenol?
The molecular formula of 4-Chloro-3-methylphenol is C7H7ClO.
What is the molecular weight of 4-Chloro-3-methylphenol?
The molecular weight of 4-Chloro-3-methylphenol is 142.01854 g/mol.
What are the applications of 4-Chloro-3-methylphenol?
4-Chloro-3-methylphenol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-methylphenol (CAS...
Where can I buy 4-Chloro-3-methylphenol?
You can request a quote for 4-Chloro-3-methylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-methylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.