2,4,5-Trichlorophenol
TL;DR: 2,4,5-Trichlorophenol (CAS 95-95-4) is a chemical compound with molecular formula C6H3Cl3O and molecular weight 195.92494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5-trichlorophenol
Also Known As: 2,4,5-TRICHLOROPHENOL, Collunosol, Dowicide 2, Nurelle, Preventol I
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3Cl3O |
| Molecular Weight | 195.92494 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.92494 Da |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| Melting Point | 154 °F (NTP, 1992) |
| Boiling Point | 487 °F at 760 mmHg (NTP, 1992) |
| Density | 1.678 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 133.0 °C (271.4 °F) (Closed cup) |
| Vapor Pressure | 1 mmHg at 162 °F ; 5 mmHg at 215.8 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)O |
| InChIKey | LHJGJYXLEPZJPM-UHFFFAOYSA-N |
Product Description
Applications: 2,4,5-Trichlorophenol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,5-Trichlorophenol (CAS 95-95-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 2,4,5-Trichlorophenol (CAS 95-95-4) has the molecular formula C6H3Cl3O and a molecular weight of 195.92 g/mol. Reported properties include a density of 1.678 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as 2,4,5-TRICHLOROPHENOL and Collunosol.
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 2,4,5-Trichlorophenol
Property Insights of 2,4,5-Trichlorophenol
The XLogP value of 3.7 indicates that 2,4,5-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, 2,4,5-Trichlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-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
What is the CAS number of 2,4,5-Trichlorophenol?
The CAS number of 2,4,5-Trichlorophenol is 95-95-4.
What is the molecular formula of 2,4,5-Trichlorophenol?
The molecular formula of 2,4,5-Trichlorophenol is C6H3Cl3O.
What is the molecular weight of 2,4,5-Trichlorophenol?
The molecular weight of 2,4,5-Trichlorophenol is 195.92494 g/mol.
What are the applications of 2,4,5-Trichlorophenol?
2,4,5-Trichlorophenol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,5-Trichlorophenol (CAS...
Where can I buy 2,4,5-Trichlorophenol?
You can request a quote for 2,4,5-Trichlorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trichlorophenol?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trichlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.