Bromacil
TL;DR: Bromacil (CAS 314-40-9) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.01605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: BROMACIL, Bromazil, Uragan, Borea, Borocil
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13BrN2O2 |
| Molecular Weight | 260.01605 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.01605 Da |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
| Melting Point | 317 °F (Sublimes) (NIOSH, 2024) |
| Boiling Point | Sublimes (NIOSH, 2024) |
| Density | 1.55 (NIOSH, 2024) - Denser than water; will sink |
| Vapor Pressure | 0.0008 mmHg at 212 °F (NIOSH, 2024) |
| Solubility | 0.08 % at 77 °F (NIOSH, 2024) |
| SMILES | CCC(C)N1C(=O)C(=C(NC1=O)C)Br |
| InChIKey | CTSLUCNDVMMDHG-UHFFFAOYSA-N |
Product Description
Applications: Bromacil 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 Bromacil (CAS 314-40-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bromacil (CAS 314-40-9) is a agrochemical intermediate with the molecular formula C9H13BrN2O2 and a molecular weight of 260.02 g/mol. Key physical properties include a density of 1.55 (NIOSH, 2024) - Denser than water; will sink g/cm³, a solubility: 0.08 % at 77 °F (NIOSH, 2024). It is also known as BROMACIL and Bromazil.
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 Bromacil
Property Insights of Bromacil
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromacil. With a topological polar surface area (TPSA) of 49.4 Ų, Bromacil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromacil has 1 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 Bromacil?
The CAS number of Bromacil is 314-40-9.
What is the molecular formula of Bromacil?
The molecular formula of Bromacil is C9H13BrN2O2.
What is the molecular weight of Bromacil?
The molecular weight of Bromacil is 260.01605 g/mol.
What are the applications of Bromacil?
Bromacil 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 Bromacil (CAS 314-40-9) with...
Where can I buy Bromacil?
You can request a quote for Bromacil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromacil?
Yes, CoreyChem provides custom synthesis services for Bromacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.