3-氯苯酚
TL;DR: 3-氯苯酚 (CAS 108-43-0) 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.
3-氯苯酚
3-chlorophenol
Also Known As: 3-Chlorophenol, m-Chlorophenol, Phenol, 3-chloro-, Phenol, m-chloro-, meta-Chlorophenol
| Molecular Formula | C6H5ClO |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 2.5 |
| 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 | 74.0 |
| Melting Point | 32.8 °C |
| Boiling Point | 213.9 °C at 760 mmHg |
| Density | 1.245 at 45.0 °C |
| Solubility | 10 to 50 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | greater than 112.0 °C |
| Vapor Pressure | 1 mmHg at 44.2 °C ; 5 mmHg at 72.2 °C |
| Refractive Index | 1.5565 at 40 °C |
Chemical Identifiers
| CAS Number | 108-43-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)O |
| InChIKey | HORNXRXVQWOLPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯酚 (CAS 108-43-0), with molecular formula C6H5ClO and molecular weight 128.00 g/mol. IUPAC: 3-chlorophenol.
Chemical Property Profile of 3-氯苯酚
Property Insights of 3-氯苯酚
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 3-氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-氯苯酚?
The CAS number of 3-氯苯酚 is 108-43-0.
What is the molecular formula of 3-氯苯酚?
The molecular formula of 3-氯苯酚 is C6H5ClO.
What is the molecular weight of 3-氯苯酚?
The molecular weight of 3-氯苯酚 is 128.00 g/mol.
Where can I buy 3-氯苯酚?
You can request a quote for 3-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 3-氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.