≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184396 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184396 |
| Canonical Smiles | CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]ethanone |
| InChIKey | HHAISVSEJFEWBZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3 |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 69731 |
| Molecular Weight | 188.15 |
| Beilstein | 1870425 |
| Reaxy-Rn | 1870425 |
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 - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Trifluoromethylbenzenes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 |
|---|---|---|---|
 H2205486 | Certificate of Analysis | May 18, 2026 | T124296 |
| H2205487 | Certificate of Analysis | May 18, 2026 | T124296 |
| H2205488 | Certificate of Analysis | May 18, 2026 | T124296 |
| C1816090 | Certificate of Analysis | Oct 14, 2025 | T124296 |
| L2107560 | Certificate of Analysis | Sep 09, 2025 | T124296 |
| L2107565 | Certificate of Analysis | Sep 09, 2025 | T124296 |
| H2003126 | Certificate of Analysis | May 09, 2024 | T124296 |
| D2425449 | Certificate of Analysis | Mar 23, 2024 | T124296 |
| J1523082 | Certificate of Analysis | Jul 07, 2023 | T124296 |
| E2305900 | Certificate of Analysis | Jun 01, 2021 | T124296 |
| Refractive Index | 1.462 |
|---|---|
| Flash Point(°F) | 183.2 °F |
| Flash Point(°C) | 84℃(183°F) |
| Boil Point(°C) | 80°C/8mmHg |
| Melt Point(°C) | 29-35°C |
| Molecular Weight | 188.150 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 188.045 Da |
| Monoisotopic Mass | 188.045 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |
| 1. Shuibo Wang, Chunzheng Wu, Hongbo Yu, Yuting Chu, Shiwei Wang, Tong Li, Hongfeng Yin. (2022) Tuning the catalytic performance of Pt/SiO2 catalysts by CoOx modification for selective hydrogenations of unsaturated carbonyl compounds. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2022.154867] |
| 2. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing. (2021) Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds. Nature Communications, 12 (1): (1-12). [PMID:34376654] [10.1038/s41467-021-25118-0] |
| 3. Wang Yichun, Xia Yu. (2024) Deep profiling of plasmalogens by coupling the Paternò–Büchi derivatization with tandem mass spectrometry. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 416 (19): (4397-4407). [PMID:38861160] [10.1007/s00216-024-05376-9] |
| 4. Zhen Li, Jingyi Wu, Weixuan Li, Shiyao Sun, Qianlong Wang, Jialin Zhao, Yijia Lei, Na Li, Jiayao Yang, Yuchao Wang, Zhe Wang. (2025) Fluorinated Poly(aryl piperidinium) Anion Exchange Membranes with High OH– Conductivity: The Synergy of Microphase Separation and Free Volume. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.5c10330] |
