for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC1(C(C1C(=O)OC)C=C(Cl)Cl)C |
|---|---|
| IUPAC Name | methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| InChIKey | QJOOIMSFFIUFKX-UHFFFAOYSA-N |
| INCHI | 1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3 |
| Isomeric SMILES | CC1(C(C1C(=O)OC)C=C(Cl)Cl)C |
| PubChem CID | 94591 |
| Molecular Weight | 223.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Cyclopropanecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclopropanecarboxylic acids and derivatives |
| Alternative Parents | Methyl esters Ketene acetals Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclopropanecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Ketene acetal or derivatives - Monocarboxylic acid or derivatives - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring. |
| External Descriptors | Not available |
| Molecular Weight | 223.090 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.021 Da |
| Monoisotopic Mass | 222.021 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 254.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
