≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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=C(C=C(C(=C1C=O)O)F)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-fluoro-2-hydroxybenzaldehyde |
| InChIKey | JTMDXYDKAJYWAV-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H |
| Isomeric SMILES | C1=C(C=C(C(=C1C=O)O)F)Cl |
| Alternate CAS | 394-96-7 |
| Molecular Weight | 174.56 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes - Aryl-aldehydes - Benzaldehydes |
| Direct Parent | Hydroxybenzaldehydes |
| Alternative Parents | P-chlorophenols O-fluorophenols Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hydroxybenzaldehyde - Benzoyl - 4-halophenol - 2-halophenol - 2-fluorophenol - 4-chlorophenol - Halobenzene - Fluorobenzene - Chlorobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Benzenoid - Vinylogous acid - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
| External Descriptors | Not available |
| Sensitivity | Air sensitive |
|---|---|
| Molecular Weight | 174.550 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.988 Da |
| Monoisotopic Mass | 173.988 Da |
| Topological Polar Surface Area | 37.300 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 |
