Ethyl 2,2-dibromo-2-nitroacetate
TL;DR: Ethyl 2,2-dibromo-2-nitroacetate (CAS 100366-31-2) is a chemical compound with molecular formula C4H5Br2NO4 and molecular weight 288.85852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-dibromo-2-nitroacetate
Also Known As: ethyl dibromonitroacetate, ethyl dibromo(nitro)acetate, Dibromonitro-acetic Acid Ethyl Ester, ethyl 2,2-dibromo-2-nitroacetate, dibromo-nitro-acetic acid ethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5Br2NO4 |
| Molecular Weight | 288.85852 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.85852 Da |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
| SMILES | CCOC(=O)C([N+](=O)[O-])(Br)Br |
| InChIKey | RPTWGPMZPHCDNA-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 2,2-dibromo-2-nitroacetate is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl 2,2-dibromo-2-nitroacetate (CAS 100366-31-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl 2,2-dibromo-2-nitroacetate (CAS 100366-31-2) is a organic building block with the molecular formula C4H5Br2NO4 and a molecular weight of 288.86 g/mol. It is also known as ethyl dibromonitroacetate and ethyl dibromo(nitro)acetate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 2,2-dibromo-2-nitroacetate
Property Insights of Ethyl 2,2-dibromo-2-nitroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dibromo-2-nitroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,2-dibromo-2-nitroacetate. Following Lipinski's Rule of Five, Ethyl 2,2-dibromo-2-nitroacetate has 0 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 Ethyl 2,2-dibromo-2-nitroacetate?
The CAS number of Ethyl 2,2-dibromo-2-nitroacetate is 100366-31-2.
What is the molecular formula of Ethyl 2,2-dibromo-2-nitroacetate?
The molecular formula of Ethyl 2,2-dibromo-2-nitroacetate is C4H5Br2NO4.
What is the molecular weight of Ethyl 2,2-dibromo-2-nitroacetate?
The molecular weight of Ethyl 2,2-dibromo-2-nitroacetate is 288.85852 g/mol.
What are the applications of Ethyl 2,2-dibromo-2-nitroacetate?
Ethyl 2,2-dibromo-2-nitroacetate is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl 2,2-dibromo-2-nitroacetate (CAS 100366-31-2) with custom synthesis available from...
Where can I buy Ethyl 2,2-dibromo-2-nitroacetate?
You can request a quote for Ethyl 2,2-dibromo-2-nitroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,2-dibromo-2-nitroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,2-dibromo-2-nitroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.