4-Chlorophenol
TL;DR: 4-Chlorophenol (CAS 106-48-9) is a chemical compound with molecular formula C6H5ClO and molecular weight 128.0029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorophenol
Also Known As: 4-CHLOROPHENOL, p-Chlorophenol, parachlorophenol, Phenol, 4-chloro-, 4-Chlorphenol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO |
| Molecular Weight | 128.0029 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.0029 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 109.8 to 110.7 °F (NTP, 1992) |
| Boiling Point | 428 °F at 760 mmHg (NTP, 1992) |
| Density | 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 250 °F (NTP, 1992) |
| Vapor Pressure | 0.1 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5419 at 55 °C/D; 1.5579 at 40 °C/D |
| Solubility | 10 to 50 mg/mL at 59 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1O)Cl |
| InChIKey | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlorophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials 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 heterocyclic building block supplied by CoreyChem, 4-Chlorophenol (CAS 106-48-9) has the molecular formula C6H5ClO and a molecular weight of 128 g/mol. Reported properties include a density of 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 10 to 50 mg/mL at 59 °F (NTP, 1992). Synonyms include 4-CHLOROPHENOL and p-Chlorophenol.
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-Chlorophenol
Property Insights of 4-Chlorophenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenol 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-Chlorophenol?
The CAS number of 4-Chlorophenol is 106-48-9.
What is the molecular formula of 4-Chlorophenol?
The molecular formula of 4-Chlorophenol is C6H5ClO.
What is the molecular weight of 4-Chlorophenol?
The molecular weight of 4-Chlorophenol is 128.0029 g/mol.
What are the applications of 4-Chlorophenol?
4-Chlorophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials 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-Chlorophenol?
You can request a quote for 4-Chlorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenol?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.