≥98 atom% D4,≥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.
Coumarin-d4 is labelled Coumarin . Pharmaceutic aid (flavor). Found in tonka beans, levender oil, woodruff, sweet clover.
| パブケム・シド | 508817121 |
|---|---|
| カノニカル・スマイル | C1=CC=C2C(=C1)C=CC(=O)O2 |
| IUPAC Name | 5,6,7,8-tetradeuteriochromen-2-one |
| InChIKey | ZYGHJZDHTFUPRJ-RHQRLBAQSA-N |
| INCHI | 1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H/i1D,2D,3D,4D |
| 異性体SMILES | [2H]C1=C(C(=C2C(=C1[2H])C=CC(=O)O2)[2H])[2H] |
| RTECS | GN4200000 |
| UN番号 | 2811 |
| 包装グループ | III |
| 分子量 | 150.15 |
| Reaxy-Rn | 383644 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383644&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 | Phenylpropanoids and polyketides |
| 分類 | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - 1-benzopyran - Benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 H2219380 | Certificate of Analysis | Jul 22, 2022 | C357823 |
| H2219381 | Certificate of Analysis | Jul 22, 2022 | C357823 |
| K2505116 | Certificate of Analysis | Jul 22, 2022 | C357823 |
| L2410209 | Certificate of Analysis | Jul 22, 2022 | C357823 |
| 溶解度 | Soluble in chloroform, and methanol. |
|---|---|
| 屈折率 | n20D1.60 (Predicted) |
| 沸点（°C） | 298.00° C at 760 mmHg (Predicted) |
| 融点（°C） | 61-62° C |
| 分子量 | 150.170 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.062 Da |
| Monoisotopic Mass | 150.062 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| Isotope Atom Count | 4 |
| 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 |
