≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Introduction
3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate
Application
3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:
• 3-nonylthio-1,1,1-trifluoropropan-2-one
• cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
• perfluoroalkylated trans-allylic alcohols
| Pubchem Sid | 504755335 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755335 |
| Canonical Smiles | C(C(=O)C(F)(F)F)Br |
| IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
| InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| INCHI | 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2 |
| Isomeric SMILES | C(C(=O)C(F)(F)F)Br |
| WGK Germany | 3 |
| Molecular Weight | 190.95 |
| Beilstein | 1703390 |
| Reaxy-Rn | 1703387 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703387&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-haloketones |
| Alternative Parents | Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2429064 | Certificate of Analysis | Jan 19, 2026 | B102788 |
| E2606033 | Certificate of Analysis | Dec 11, 2025 | B102788 |
| L2530076 | Certificate of Analysis | Dec 11, 2025 | B102788 |
| L2530078 | Certificate of Analysis | Dec 11, 2025 | B102788 |
| L2530085 | Certificate of Analysis | Dec 11, 2025 | B102788 |
| B2505103 | Certificate of Analysis | Mar 25, 2024 | B102788 |
| G2405139 | Certificate of Analysis | Mar 25, 2024 | B102788 |
| I2110214 | Certificate of Analysis | Jun 12, 2023 | B102788 |
| I2110215 | Certificate of Analysis | Jun 12, 2023 | B102788 |
| A1911043 | Certificate of Analysis | Aug 12, 2022 | B102788 |
| A1911044 | Certificate of Analysis | Aug 12, 2022 | B102788 |
| Solubility | Immiscible with water. |
|---|---|
| Sensitivity | Heat sensitive |
| Refractive Index | 1.376 |
| Flash Point(°F) | 41 °F |
| Flash Point(°C) | -2° |
| Boil Point(°C) | 87°C |
| Melt Point(°C) | <-80°C |
| Molecular Weight | 190.950 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 189.924 Da |
| Monoisotopic Mass | 189.924 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 97.200 |
| 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 |
| 1. Yutong Fan, Jinyue Zhou, Junjie Chen, Chunhui Shen, Shanjun Gao. (2023) Polyaryl piperidine anion exchange membranes with hydrophilic side chain. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, [PMID:] [10.1016/j.ijhydene.2023.01.243] |
| 2. Zhenyu Tian, Hanzhi Zhang, Xiaoxuan Niu, Yan Liu, Xin Liu, Wenjia Li. (2025) Efficient and stable water electrolysis for hydrogen production using multi-cations-grafted poly (arylene piperidinium)-based anion exchange membranes. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, [PMID:] [10.1016/j.ijhydene.2025.152711] |
