Diquat
TL;DR: Diquat (CAS 2764-72-9) is a chemical compound with molecular formula C12H12N2+2 and molecular weight 184.10005 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
Also Known As: DIQUAT, Diquat dication, Reglox, Diquat ion, diquatdication
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2+2 |
| Molecular Weight | 184.10005 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.10005 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| Melting Point | less than 608 °F (decomposes) (NTP, 1992) |
| Boiling Point | Decomposes (NIOSH, 2024) |
| Density | 1.22 to 1.27 at 68 °F (USCG, 1999) |
| Vapor Pressure | less than 0.000010 mmHg at 68 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31 |
| InChIKey | SYJFEGQWDCRVNX-UHFFFAOYSA-N |
Product Description
Applications: Diquat 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A agrochemical intermediate supplied by CoreyChem, Diquat (CAS 2764-72-9) has the molecular formula C12H12N2+2 and a molecular weight of 184.1 g/mol. Reported properties include a density of 1.22 to 1.27 at 68 °F (USCG, 1999) g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). Synonyms include DIQUAT and Diquat dication.
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
Property Insights of Diquat
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diquat. With a topological polar surface area (TPSA) of 7.8 Ų, Diquat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diquat has 0 hydrogen bond donor(s) and 0 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?
The CAS number of Diquat is 2764-72-9.
What is the molecular formula of Diquat?
The molecular formula of Diquat is C12H12N2+2.
What is the molecular weight of Diquat?
The molecular weight of Diquat is 184.10005 g/mol.
What are the applications of Diquat?
Diquat 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. Available from CoreyChem as both catalog item and...
Where can I buy Diquat?
You can request a quote for Diquat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diquat?
Yes, CoreyChem provides custom synthesis services for Diquat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.