N-bromobutanimide
TL;DR: N-bromobutanimide (CAS 128-08-5) is a chemical compound with molecular formula C4H4BrNO2 and molecular weight 176.94254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromopyrrolidine-2,5-dione
Also Known As: N-Bromosuccinimide, 1-Bromopyrrolidine-2,5-dione, Succinbromimide, Succinbromide, Succinibromimide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4BrNO2 |
| Molecular Weight | 176.94254 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.94254 Da |
| Heavy Atoms | 8 |
| Complexity | 129.0 |
| Purity | 99% |
| Melting Point | 173-175 °C (slight decomposition) |
| Boiling Point | 338.9 °C at 101.325 kPa |
| Density | 2.098 g/cu cm at 25 °C |
| Vapor Pressure | 11.0 [mmHg] |
| Solubility | In water, 1.47 g/100 g water at 25 °C |
| SMILES | C1CC(=O)N(C1=O)Br |
| InChIKey | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
Safety Information
H272, H290, H315, H317, H319, H341, H400
Chemical Property Profile of N-bromobutanimide
Property Insights of N-bromobutanimide
The XLogP value of -0.1 indicates that N-bromobutanimide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.4 Ų, N-bromobutanimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-bromobutanimide 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 N-bromobutanimide?
The CAS number of N-bromobutanimide is 128-08-5.
What is the molecular formula of N-bromobutanimide?
The molecular formula of N-bromobutanimide is C4H4BrNO2.
What is the molecular weight of N-bromobutanimide?
The molecular weight of N-bromobutanimide is 176.94254 g/mol.
Where can I buy N-bromobutanimide?
You can request a quote for N-bromobutanimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-bromobutanimide?
Yes, CoreyChem provides custom synthesis services for N-bromobutanimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Related Articles
NBS (N-Bromosuccinimide) (CAS 128-08-5) — Complete Guide to Properties and Applications
Category: Brominating Reagent | Formula: C4H4BrNO2 | MW: 177.98 g/mol