Diquat Dibromide
TL;DR: Diquat Dibromide (CAS 85-00-7) is a chemical compound with molecular formula C12H12Br2N2 and molecular weight 341.9367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dibromide
Also Known As: DIQUAT DIBROMIDE, Aquacide, Reglon, Reglox, Preeglone
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12Br2N2 |
| Molecular Weight | 341.9367 g/mol |
| XLogP | -5.05 |
| Topological Polar Surface Area (TPSA) | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.93466 Da |
| Heavy Atoms | 16 |
| Complexity | 182.0 |
| Melting Point | 337 °C |
| Boiling Point | Decomposes |
| Density | 1.22 to 1.27 @ 20 °C/20 °C |
| Vapor Pressure | 0.00000181 [mmHg] |
| Solubility | Slightly soluble in alcohols, hydroxylic solvents. Practically insoluble in nonpolar organic solvents. |
| SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] |
| InChIKey | ODPOAESBSUKMHD-UHFFFAOYSA-L |
Product Description
Applications: Diquat Dibromide 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 Diquat Dibromide (CAS 85-00-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, Diquat Dibromide (CAS 85-00-7) has the molecular formula C12H12Br2N2 and a molecular weight of 341.94 g/mol. Reported properties include a density of 1.22 to 1.27 @ 20 °C/20 °C g/cm³, a solubility: Slightly soluble in alcohols, hydroxylic solvents. Practically insoluble in nonpolar organic solvents. It is also known as DIQUAT DIBROMIDE and Aquacide.
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 Diquat Dibromide
Property Insights of Diquat Dibromide
The XLogP value of -5.05 indicates that Diquat Dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.8 Ų, Diquat Dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diquat Dibromide 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 Diquat Dibromide?
The CAS number of Diquat Dibromide is 85-00-7.
What is the molecular formula of Diquat Dibromide?
The molecular formula of Diquat Dibromide is C12H12Br2N2.
What is the molecular weight of Diquat Dibromide?
The molecular weight of Diquat Dibromide is 341.9367 g/mol.
What are the applications of Diquat Dibromide?
Diquat Dibromide 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 Diquat Dibromide (CAS...
Where can I buy Diquat Dibromide?
You can request a quote for Diquat Dibromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diquat Dibromide?
Yes, CoreyChem provides custom synthesis services for Diquat Dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.