≥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.
| Canonical Smiles | CC(CCl)(C(=O)O)Cl |
|---|---|
| IUPAC Name | 2,3-dichloro-2-methylpropanoic acid |
| InChIKey | LRGIIZXVSULULZ-UHFFFAOYSA-N |
| INCHI | 1S/C4H6Cl2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8) |
| Isomeric SMILES | CC(CCl)(C(=O)O)Cl |
| Molecular Weight | 156.99 |
| Reaxy-Rn | 1702545 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702545&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 | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
| Refractive Index | 1.47 |
|---|---|
| Flash Point(°C) | 88 °C |
| Boil Point(°C) | 113°C/15mmHg(lit.) |
| Melt Point(°C) | 18 °C |
| Molecular Weight | 156.990 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 155.974 Da |
| Monoisotopic Mass | 155.974 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 104.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
