Dichlobenil
TL;DR: Dichlobenil (CAS 1194-65-6) is a chemical compound with molecular formula C7H3Cl2N and molecular weight 170.96425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichlorobenzonitrile
Also Known As: 2,6-Dichlorobenzonitrile, dichlobenil, Casoron, Dichlobanil, Surfassol
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl2N |
| Molecular Weight | 170.96425 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96425 Da |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
| Melting Point | 293 to 294.8 °F (USCG, 1999) |
| Boiling Point | 518 °F at 760 mmHg (USCG, 1999) |
| Density | 1.3 g/cm³ |
| Flash Point | Not Applicable. Not flammable. (USCG, 1999) |
| Vapor Pressure | 20.94 mmHg at 220 °F (USCG, 1999) |
| Solubility | In water, 14.6 mg/L at 20 °C |
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)Cl |
| InChIKey | YOYAIZYFCNQIRF-UHFFFAOYSA-N |
Product Description
Applications: Dichlobenil is used in agrochemical development, including crop protection agent 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 Dichlobenil (CAS 1194-65-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dichlobenil (CAS 1194-65-6) is a agrochemical intermediate with the molecular formula C7H3Cl2N and a molecular weight of 170.96 g/mol. Key physical properties include a density of 1.3 g/cm³ g/cm³, a solubility: In water, 14.6 mg/L at 20 °C. It is also known as 2,6-Dichlorobenzonitrile and dichlobenil.
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 Dichlobenil
Property Insights of Dichlobenil
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichlobenil. With a topological polar surface area (TPSA) of 23.8 Ų, Dichlobenil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichlobenil has 0 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 Dichlobenil?
The CAS number of Dichlobenil is 1194-65-6.
What is the molecular formula of Dichlobenil?
The molecular formula of Dichlobenil is C7H3Cl2N.
What is the molecular weight of Dichlobenil?
The molecular weight of Dichlobenil is 170.96425 g/mol.
What are the applications of Dichlobenil?
Dichlobenil is used in agrochemical development, including crop protection agent 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 Dichlobenil (CAS...
Where can I buy Dichlobenil?
You can request a quote for Dichlobenil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dichlobenil?
Yes, CoreyChem provides custom synthesis services for Dichlobenil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.