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.
Isobutyric acid-d7 is the deuterium labeled Isobutyric acid.
| Canonical Smiles | CC(C)C(=O)O |
|---|---|
| IUPAC Name | 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanoic acid |
| InChIKey | KQNPFQTWMSNSAP-YYWVXINBSA-N |
| INCHI | 1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3,3D |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])(C(=O)O)C([2H])([2H])[2H] |
| Alternate CAS | 79-31-2（unlabelled） |
| UN Number | 2529 |
| Packing Group | III |
| Molecular Weight | 95.15 |
| Reaxy-Rn | 635770 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635770&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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Boil Point(°C) | 153-154 °C (lit.) |
| Melt Point(°C) | -47 °C (lit.) |
| Molecular Weight | 95.150 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 95.0964 Da |
| Monoisotopic Mass | 95.0964 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 56.600 |
| Isotope Atom Count | 7 |
| 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 |
H2511587