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 |
Product Description
Applications: Ethyl bromoacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Ethyl bromoacetate (CAS 105-36-2) is a heterocyclic building block with the molecular formula C4H7BrO2 and a molecular weight of 165.96 g/mol. Key physical properties include a density of 1.5032 @ 20 °C/20 °C g/cm³, a solubility: Insoluble in water, soluble in acetone, miscible in ethanol and ethyl ether. Synonyms include Ethyl bromoacetate and ETHYL 2-BROMOACETATE.
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 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.
What are the applications of Ethyl bromoacetate?
Ethyl bromoacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
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.