≥98 atom% D,≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application：
Deuterium labelled form of acetophenone, a reagent used in the production of fragrances and resin polymers.
| Pubchem Sid | 504760930 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760930 |
| 정식 스마일 | CC(=O)C1=CC=CC=C1 |
| IUPAC Name | 2,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanone |
| InChIKey | KWOLFJPFCHCOCG-JGUCLWPXSA-N |
| INCHI | 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D |
| 이성체 SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C([2H])([2H])[2H])[2H])[2H] |
| 대체 CAS | 98-86-2（unlabelled） |
| 분자량 | 128.2 |
| Reaxy-Rn | 605842 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605842&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 |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 G2622040 | Certificate of Analysis | Jul 15, 2026 | A471960 |
| G2622041 | Certificate of Analysis | Jul 15, 2026 | A471960 |
| H2520059 | Certificate of Analysis | Dec 14, 2024 | A471960 |
| L2426297 | Certificate of Analysis | Dec 14, 2024 | A471960 |
| F2308899 | Certificate of Analysis | May 06, 2023 | A471960 |
| F2308905 | Certificate of Analysis | May 06, 2023 | A471960 |
| F2308906 | Certificate of Analysis | May 06, 2023 | A471960 |
| F2308916 | Certificate of Analysis | May 06, 2023 | A471960 |
| 용해성 | Chloroform (Slightly), Methanol (Slightly) |
|---|---|
| 감도 | Hygroscopic |
| 굴절률 | 1.5322 (lit.) |
| 끓는점(°C) | 202 °C (lit.) |
| 녹는점(°C) | 19-20 °C (lit.) |
| 분자량 | 128.199 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.108 Da |
| Monoisotopic Mass | 128.108 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| Isotope Atom Count | 8 |
| 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 |
