≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1C(C1C(=O)O)C2=CC=C(C=C2)C(F)(F)F |
|---|---|
| IUPAC Name | (1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
| InChIKey | UKRIUIRBTVRYAH-DTWKUNHWSA-N |
| INCHI | 1S/C11H9F3O2/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m0/s1 |
| Isomeric SMILES | C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)C(F)(F)F |
| Alternate CAS | 201164-18-3 |
| PubChem CID | 10513620 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Cyclopropanecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 230.180 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 230.055 Da |
| Monoisotopic Mass | 230.055 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![rac-(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid - ≥97% , CAS No.201164-18-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)