≥95% 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.
| Pubchem Sid | 504752373 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752373 |
| Canonical Smiles | CC(C)NC(C)C.C(C(=O)O)(Cl)Cl |
| IUPAC Name | 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine |
| InChIKey | ILKBHIBYKSHTKQ-UHFFFAOYSA-N |
| INCHI | 1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6) |
| Isomeric SMILES | CC(C)NC(C)C.C(C(=O)O)(Cl)Cl |
| Molecular Weight | 230.13 |
| Reaxy-Rn | 4158968 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4158968&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 Dialkylamines Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Not available |
| Substituents | Alpha-halocarboxylic acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2205453 | Certificate of Analysis | Sep 16, 2025 | D135665 |
| C2205487 | Certificate of Analysis | Sep 16, 2025 | D135665 |
| C2205506 | Certificate of Analysis | Sep 16, 2025 | D135665 |
| F1525107 | Certificate of Analysis | Oct 11, 2024 | D135665 |
| F2325409 | Certificate of Analysis | Mar 11, 2022 | D135665 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 122 °C |
| Molecular Weight | 230.130 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 229.064 Da |
| Monoisotopic Mass | 229.064 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 94.000 |
| Isotope Atom Count | 0 |
| 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 | 2 |
