Bronopol
TL;DR: Bronopol (CAS 52-51-7) is a chemical compound with molecular formula C3H6BrNO4 and molecular weight 198.94801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-2-nitropropane-1,3-diol
Also Known As: bronopol, 2-Bromo-2-nitro-1,3-propanediol, Bronosol, Bronocot, 2-Bromo-2-nitropropane-1,3-diol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6BrNO4 |
| Molecular Weight | 198.94801 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.94801 Da |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| Melting Point | 266 to 271 °F (NTP, 1992) |
| Boiling Point | 305.1 °F at 760 mmHg (NTP, 1992) |
| Density | Relative density (water = 1): 1.9 |
| Flash Point | 167 °C |
| Vapor Pressure | 1.2601e-05 mmHg at 68 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| SMILES | C(C(CO)([N+](=O)[O-])Br)O |
| InChIKey | LVDKZNITIUWNER-UHFFFAOYSA-N |
Product Description
Applications: Bronopol 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 Bronopol (CAS 52-51-7) 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, Bronopol (CAS 52-51-7) has the molecular formula C3H6BrNO4 and a molecular weight of 198.95 g/mol. Reported properties include a density of Relative density (water = 1): 1.9 g/cm³, a solubility: greater than or equal to 100 mg/mL at 63 °F (NTP, 1992). It is also known as bronopol and 2-Bromo-2-nitro-1,3-propanediol.
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 Bronopol
Property Insights of Bronopol
The XLogP value of -0.6 indicates that Bronopol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bronopol. Following Lipinski's Rule of Five, Bronopol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bronopol?
The CAS number of Bronopol is 52-51-7.
What is the molecular formula of Bronopol?
The molecular formula of Bronopol is C3H6BrNO4.
What is the molecular weight of Bronopol?
The molecular weight of Bronopol is 198.94801 g/mol.
What are the applications of Bronopol?
Bronopol 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 Bronopol (CAS 52-51-7) with...
Where can I buy Bronopol?
You can request a quote for Bronopol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bronopol?
Yes, CoreyChem provides custom synthesis services for Bronopol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.