4-Chloro-3,5-dimethylphenol
TL;DR: 4-Chloro-3,5-dimethylphenol (CAS 88-04-0) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.0342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3,5-dimethylphenol
Also Known As: chloroxylenol, 4-Chloro-3,5-dimethylphenol, Dettol, Benzytol, PCMX
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9ClO |
| Molecular Weight | 156.0342 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0342 Da |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
| Melting Point | 112-116 degrees Celsius |
| Boiling Point | 246 |
| Density | 0.89 g/ml at 20 °C |
| Vapor Pressure | 0.0018 [mmHg] |
| Solubility | 0.03 |
| SMILES | CC1=CC(=CC(=C1Cl)C)O |
| InChIKey | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3,5-dimethylphenol is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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 pharmaceutical intermediate supplied by CoreyChem, 4-Chloro-3,5-dimethylphenol (CAS 88-04-0) has the molecular formula C8H9ClO and a molecular weight of 156.03 g/mol. Reported properties include a density of 0.89 g/ml at 20 °C g/cm³, a solubility: 0.03. Synonyms include chloroxylenol and 4-Chloro-3,5-dimethylphenol.
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-3,5-dimethylphenol
Property Insights of 4-Chloro-3,5-dimethylphenol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-3,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3,5-dimethylphenol 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-3,5-dimethylphenol?
The CAS number of 4-Chloro-3,5-dimethylphenol is 88-04-0.
What is the molecular formula of 4-Chloro-3,5-dimethylphenol?
The molecular formula of 4-Chloro-3,5-dimethylphenol is C8H9ClO.
What is the molecular weight of 4-Chloro-3,5-dimethylphenol?
The molecular weight of 4-Chloro-3,5-dimethylphenol is 156.0342 g/mol.
What are the applications of 4-Chloro-3,5-dimethylphenol?
4-Chloro-3,5-dimethylphenol is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Chloro-3,5-dimethylphenol?
You can request a quote for 4-Chloro-3,5-dimethylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3,5-dimethylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.