3,4,5-Trichlorophenol
TL;DR: 3,4,5-Trichlorophenol (CAS 609-19-8) 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.
3,4,5-trichlorophenol
Also Known As: 3,4,5-TRICHLOROPHENOL, Phenol, 3,4,5-trichloro-, 3,5-Trichlorophenol, 3,4,5-trichlorphenol, Clc1c(Cl)cc(O)cc1Cl
| Molecular Formula | C6H3Cl3O |
|---|---|
| Molecular Weight | 195.92 g/mol |
| LogP | 4.0 |
| 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 | 108.0 |
| Melting Point | 101.1 °C |
| Boiling Point | 520 to 277.2 °C at 746 mmHg |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00246 [mmHg] |
Chemical Identifiers
| CAS Number | 609-19-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)O |
| InChIKey | GBNHEBQXJVDXSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trichlorophenol (CAS 609-19-8), with molecular formula C6H3Cl3O and molecular weight 195.92 g/mol. IUPAC: 3,4,5-trichlorophenol.
Chemical Property Profile of 3,4,5-Trichlorophenol
Property Insights of 3,4,5-Trichlorophenol
The XLogP value of 4.0 indicates that 3,4,5-Trichlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4,5-Trichlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichlorophenol 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 3,4,5-Trichlorophenol?
The CAS number of 3,4,5-Trichlorophenol is 609-19-8.
What is the molecular formula of 3,4,5-Trichlorophenol?
The molecular formula of 3,4,5-Trichlorophenol is C6H3Cl3O.
What is the molecular weight of 3,4,5-Trichlorophenol?
The molecular weight of 3,4,5-Trichlorophenol is 195.92 g/mol.
Where can I buy 3,4,5-Trichlorophenol?
You can request a quote for 3,4,5-Trichlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trichlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trichlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.