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Basic Description
| Synonyms | UNII-2QFZ6JJ5YH | Ethylbromodifluoroacetate | ethyl difluorobromoacetate | ethyl bromo(difluoro)acetate | ethyl 2-bromo-2,2-difluoroacetate | Bromodifluoroacetic Acid Ethyl Ester |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
| Product Description |
Treatment of the Reformatsky reagent with aldehydes and ketones affords 2,2-difluoro-3-hydroxy esters. Please enquire for references and other data for this item. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acid derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488184362 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184362 |
| IUPAC Name | ethyl 2-bromo-2,2-difluoroacetate |
| INCHI | InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| InChIKey | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C(F)(F)Br |
| Isomeric SMILES | CCOC(=O)C(F)(F)Br |
| WGK Germany | 3 |
| UN Number | 2924 |
| Molecular Weight | 202.98 |
| Beilstein | 1906095 |
| Reaxy-Rn | 1906095 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906095&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2310308 |
Certificate of Analysis | Jan 20, 2025 | E107843 |
| D2310314 |
Certificate of Analysis | Jan 07, 2025 | E107843 |
| D2310330 |
Certificate of Analysis | Jan 07, 2025 | E107843 |
| H2428379 |
Certificate of Analysis | Jul 27, 2024 | E107843 |
| H2428377 |
Certificate of Analysis | Jul 27, 2024 | E107843 |
| H2428378 |
Certificate of Analysis | Jul 27, 2024 | E107843 |
| E2413328 |
Certificate of Analysis | Apr 29, 2024 | E107843 |
| E2413329 |
Certificate of Analysis | Apr 29, 2024 | E107843 |
| K2125509 |
Certificate of Analysis | Aug 21, 2023 | E107843 |
| K2125515 |
Certificate of Analysis | Aug 21, 2023 | E107843 |
| K2125523 |
Certificate of Analysis | Aug 21, 2023 | E107843 |
| F1905106 |
Certificate of Analysis | Feb 07, 2023 | E107843 |
| H1506019 |
Certificate of Analysis | Feb 03, 2023 | E107843 |
| B2102050 |
Certificate of Analysis | Dec 12, 2022 | E107843 |
| J2030090 |
Certificate of Analysis | Aug 15, 2022 | E107843 |
| J2030089 |
Certificate of Analysis | Aug 15, 2022 | E107843 |
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Chemical and Physical Properties
| Solubility | Soluble in most organic solvents. |
|---|---|
| Refractive Index | 1.387 |
| Flash Point(°F) | 69.8 °F |
| Flash Point(°C) | 21 ℃ |
| Boil Point(°C) | 112°C |
| Molecular Weight | 202.980 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.944 Da |
| Monoisotopic Mass | 201.944 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 115.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Alternative Products
-
Bromodifluoroacetic acidStarting at $11.90
-
Methyl Bromodifluoroacetate
Starting at $70.90
-
Sodium Bromodifluoroacetate
Starting at $39.90
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