≥93% 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 | C1=CC(=C(C=C1C(C(=O)O)(F)F)Cl)F |
|---|---|
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid |
| InChIKey | DFBBKEDRIACDMM-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClF3O2/c9-5-3-4(1-2-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14) |
| Isomeric SMILES | C1=CC(=C(C=C1C(C(=O)O)(F)F)Cl)F |
| PubChem CID | 39058327 |
| Molecular Weight | 224.56 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Chlorobenzenes Aryl fluorides Aryl chlorides Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Melt Point(°C) | 129-131° |
|---|---|
| Molecular Weight | 224.560 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.985 Da |
| Monoisotopic Mass | 223.985 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| 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 | 1 |
