Trichlorfon
TL;DR: Trichlorfon (CAS 52-68-6) is a chemical compound with molecular formula C4H8Cl3O4P and molecular weight 255.92258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trichloro-1-dimethoxyphosphorylethanol
Also Known As: TRICHLORFON, Metrifonate, Chlorophos, Metriphonate, Trichlorphon
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Cl3O4P |
| Molecular Weight | 255.92258 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.92258 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Melting Point | 181 to 183 °F (NTP, 1992) |
| Boiling Point | 212 °F at 0.1 mmHg (NTP, 1992) |
| Density | 1.73 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 7.8e-06 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.3439 at 20 °C/D |
| Solubility | 10 to 50 mg/mL at 70 °F (NTP, 1992) |
| SMILES | COP(=O)(C(C(Cl)(Cl)Cl)O)OC |
| InChIKey | NFACJZMKEDPNKN-UHFFFAOYSA-N |
Product Description
Applications: Trichlorfon is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Trichlorfon is a heterocyclic building block identified by CAS number 52-68-6 and the molecular formula C4H8Cl3O4P and a molecular weight of 255.92 g/mol. Physically, the compound has a density of 1.73 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 10 to 50 mg/mL at 70 °F (NTP, 1992). Synonyms include TRICHLORFON and Metrifonate.
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 Trichlorfon
Property Insights of Trichlorfon
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichlorfon. With a topological polar surface area (TPSA) of 55.8 Ų, Trichlorfon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichlorfon has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichlorfon?
The CAS number of Trichlorfon is 52-68-6.
What is the molecular formula of Trichlorfon?
The molecular formula of Trichlorfon is C4H8Cl3O4P.
What is the molecular weight of Trichlorfon?
The molecular weight of Trichlorfon is 255.92258 g/mol.
What are the applications of Trichlorfon?
Trichlorfon is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Trichlorfon?
You can request a quote for Trichlorfon directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichlorfon?
Yes, CoreyChem provides custom synthesis services for Trichlorfon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.