Dicofol
TL;DR: Dicofol (CAS 115-32-2) is a chemical compound with molecular formula C14H9Cl5O and molecular weight 367.9096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Also Known As: DICOFOL, Kelthane, Acarin, Mitigan, Dichlorokelthane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H9Cl5O |
| Molecular Weight | 367.9096 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.90665 Da |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
| Melting Point | 173.3 to 175.1 °F (NTP, 1992) |
| Boiling Point | 437 °F at 760 mmHg (NTP, 1992) |
| Density | greater than 1.1 at 68 °F <0.9 at 20 °C (liquid) (USCG, 1999) |
| Flash Point | 75 °F (USCG, 1999) |
| Vapor Pressure | Negligible (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl |
| InChIKey | UOAMTSKGCBMZTC-UHFFFAOYSA-N |
Product Description
Applications: Dicofol 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. CoreyChem supplies Dicofol (CAS 115-32-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dicofol (CAS 115-32-2) is a heterocyclic building block with the molecular formula C14H9Cl5O and a molecular weight of 367.91 g/mol. Key physical properties include a density of greater than 1.1 at 68 °F <0.9 at 20 °C (liquid) (USCG, 1999) g/cm³, a solubility: less than 0.1 mg/mL at 72 °F (NTP, 1992). It is also known as DICOFOL and Kelthane.
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 Dicofol
Property Insights of Dicofol
The XLogP value of 4.3 indicates that Dicofol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Dicofol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dicofol 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 Dicofol?
The CAS number of Dicofol is 115-32-2.
What is the molecular formula of Dicofol?
The molecular formula of Dicofol is C14H9Cl5O.
What is the molecular weight of Dicofol?
The molecular weight of Dicofol is 367.9096 g/mol.
What are the applications of Dicofol?
Dicofol 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. CoreyChem supplies Dicofol (CAS 115-32-2) with...
Where can I buy Dicofol?
You can request a quote for Dicofol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dicofol?
Yes, CoreyChem provides custom synthesis services for Dicofol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.