≥97% 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 | C1=C(C(=CC(=C1Cl)Cl)F)C=O |
|---|---|
| IUPAC Name | 4,5-dichloro-2-fluorobenzaldehyde |
| InChIKey | OXEVLIPBDBFQBA-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2FO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-3H |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)Cl)F)C=O |
| PubChem CID | 87317372 |
| Molecular Weight | 193 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - 1,2-dichlorobenzene - Fluorobenzene - Aryl-aldehyde - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Molecular Weight | 193.000 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.954 Da |
| Monoisotopic Mass | 191.954 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
