Chlorothalonil
TL;DR: Chlorothalonil (CAS 1897-45-6) is a chemical compound with molecular formula C8Cl4N2 and molecular weight 263.88156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Also Known As: CHLOROTHALONIL, Daconil, Tetrachloroisophthalonitrile, Bravo, Nopcocide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8Cl4N2 |
| Molecular Weight | 263.88156 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.8786 Da |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
| Melting Point | 482 to 484 °F (NTP, 1992) |
| Boiling Point | 662 °F at 760 mmHg (NTP, 1992) |
| Density | 1.7 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | less than 0.01 mmHg at 104 °F ; 9.2 mmHg at 338.7 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
Product Description
Applications: Chlorothalonil is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothalonil (CAS 1897-45-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Chlorothalonil (CAS 1897-45-6) is a polymer intermediate with the molecular formula C8Cl4N2 and a molecular weight of 263.88 g/mol. Key physical properties include a density of 1.7 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992). It is also known as CHLOROTHALONIL and Daconil.
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 Chlorothalonil
Property Insights of Chlorothalonil
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorothalonil. With a topological polar surface area (TPSA) of 47.6 Ų, Chlorothalonil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorothalonil has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorothalonil?
The CAS number of Chlorothalonil is 1897-45-6.
What is the molecular formula of Chlorothalonil?
The molecular formula of Chlorothalonil is C8Cl4N2.
What is the molecular weight of Chlorothalonil?
The molecular weight of Chlorothalonil is 263.88156 g/mol.
What are the applications of Chlorothalonil?
Chlorothalonil is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothalonil (CAS 1897-45-6) with...
Where can I buy Chlorothalonil?
You can request a quote for Chlorothalonil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorothalonil?
Yes, CoreyChem provides custom synthesis services for Chlorothalonil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.