2,4,5-三氯苯酚
TL;DR: 2,4,5-三氯苯酚 (CAS 95-95-4) is a chemical compound with molecular formula C6H3Cl3O and molecular weight 195.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-三氯苯酚
2,4,5-trichlorophenol
Also Known As: 2,4,5-TRICHLOROPHENOL, Collunosol, Dowicide 2, Nurelle, Preventol I
| Molecular Formula | C6H3Cl3O |
|---|---|
| Molecular Weight | 195.92 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.92494 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| Melting Point | 67.8 °C |
| Boiling Point | 252.8 °C at 760 mmHg |
| Density | 1.678 at 25.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 133.0 °C (133.0 °C) (Closed cup) |
| Vapor Pressure | 1 mmHg at 72.2 °C ; 5 mmHg at 102.1 °C |
Chemical Identifiers
| CAS Number | 95-95-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)O |
| InChIKey | LHJGJYXLEPZJPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-三氯苯酚 (CAS 95-95-4), with molecular formula C6H3Cl3O and molecular weight 195.92 g/mol. IUPAC: 2,4,5-trichlorophenol.
Chemical Property Profile of 2,4,5-三氯苯酚
Property Insights of 2,4,5-三氯苯酚
The XLogP value of 3.7 indicates that 2,4,5-三氯苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4,5-三氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-三氯苯酚 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 2,4,5-三氯苯酚?
The CAS number of 2,4,5-三氯苯酚 is 95-95-4.
What is the molecular formula of 2,4,5-三氯苯酚?
The molecular formula of 2,4,5-三氯苯酚 is C6H3Cl3O.
What is the molecular weight of 2,4,5-三氯苯酚?
The molecular weight of 2,4,5-三氯苯酚 is 195.92 g/mol.
Where can I buy 2,4,5-三氯苯酚?
You can request a quote for 2,4,5-三氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-三氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-三氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.