≥98% 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 | CC1=CC(=C(C(=C1Cl)[N+](=O)[O-])O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 3-chloro-4-methyl-2,6-dinitrophenol |
| InChIKey | SSFPPEHPQLGLCK-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN2O5/c1-3-2-4(9(12)13)7(11)6(5(3)8)10(14)15/h2,11H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C(=C1Cl)[N+](=O)[O-])O)[N+](=O)[O-] |
| PubChem CID | 54759085 |
| Molecular Weight | 232.6 |
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 | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dinitrophenols |
| Alternative Parents | Dinitrotoluenes Nitrobenzenes Para cresols Nitroaromatic compounds M-chlorophenols Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dinitrotoluene - Dinitrophenol - Nitrobenzene - Nitrotoluene - 3-halophenol - 3-chlorophenol - P-cresol - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups. |
| External Descriptors | Not available |
| Molecular Weight | 232.580 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 231.989 Da |
| Monoisotopic Mass | 231.989 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| 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 |
