4-氯苯酚
TL;DR: 4-氯苯酚 (CAS 106-48-9) is a chemical compound with molecular formula C6H5ClO and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯酚
4-chlorophenol
Also Known As: 4-CHLOROPHENOL, p-Chlorophenol, parachlorophenol, Phenol, 4-chloro-, 4-Chlorphenol
| Molecular Formula | C6H5ClO |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.0029 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 109.8 to 43.7 °C |
| Boiling Point | 220.0 °C at 760 mmHg |
| Density | 1.31 at 20.0 °C |
| Solubility | 10 to 50 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | 121.1 °C |
| Vapor Pressure | 0.1 mmHg at 20.0 °C |
| Refractive Index | 1.5419 at 55 °C; 1.5579 at 40 °C |
Chemical Identifiers
| CAS Number | 106-48-9 |
|---|---|
| SMILES | C1=CC(=CC=C1O)Cl |
| InChIKey | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯酚 (CAS 106-48-9), with molecular formula C6H5ClO and molecular weight 128.00 g/mol. IUPAC: 4-chlorophenol.
Chemical Property Profile of 4-氯苯酚
Property Insights of 4-氯苯酚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 4-氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯酚 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
Frequently Asked Questions
What is the CAS number of 4-氯苯酚?
The CAS number of 4-氯苯酚 is 106-48-9.
What is the molecular formula of 4-氯苯酚?
The molecular formula of 4-氯苯酚 is C6H5ClO.
What is the molecular weight of 4-氯苯酚?
The molecular weight of 4-氯苯酚 is 128.00 g/mol.
Where can I buy 4-氯苯酚?
You can request a quote for 4-氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.