≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C(C(=O)O)Cl)C(=O)O |
|---|---|
| IUPAC Name | 2-chlorobutanedioic acid |
| InChIKey | QEGKXSHUKXMDRW-UHFFFAOYSA-N |
| INCHI | 1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9) |
| Isomeric SMILES | C(C(C(=O)O)Cl)C(=O)O |
| UN Number | 3261 |
| Molecular Weight | 152.53 |
| Beilstein | 1723551 |
| Reaxy-Rn | 1723551 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723551&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogenated fatty acids |
| Alternative Parents | Dicarboxylic acids and derivatives Alpha-halocarboxylic acids Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Halogenated fatty acid - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl chloride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br). |
| External Descriptors | Not available |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 150-153 °C (lit.) |
| Molecular Weight | 152.530 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 151.988 Da |
| Monoisotopic Mass | 151.988 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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 |
A2616369