Ethyl bromoacetate
TL;DR: Ethyl bromoacetate (CAS 105-36-2) is a chemical compound with molecular formula C4H7BrO2 and molecular weight 165.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-bromoacetate
Also Known As: Ethyl bromoacetate, ETHYL 2-BROMOACETATE, Antol, Ethyl bromacetate, Ethyl monobromoacetate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7BrO2 |
| Molecular Weight | 165.96294 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.96294 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 168.5 °C |
| Density | 1.5032 @ 20 °C/20 °C |
| Flash Point | 48 °C |
| Vapor Pressure | 3.37 [mmHg] |
| Refractive Index | Index of refraction: 1.4489 @ 20 °C |
| Solubility | Insoluble in water, soluble in acetone, miscible in ethanol and ethyl ether. |
| SMILES | CCOC(=O)CBr |
| InChIKey | PQJJJMRNHATNKG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl bromoacetate
Property Insights of Ethyl bromoacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl bromoacetate 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 Ethyl bromoacetate?
The CAS number of Ethyl bromoacetate is 105-36-2.
What is the molecular formula of Ethyl bromoacetate?
The molecular formula of Ethyl bromoacetate is C4H7BrO2.
What is the molecular weight of Ethyl bromoacetate?
The molecular weight of Ethyl bromoacetate is 165.96294 g/mol.
Where can I buy Ethyl bromoacetate?
You can request a quote for Ethyl bromoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl bromoacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.