≥98%(GC) 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.
| Pubchem Sid | 488182831 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182831 |
| Canonical Smiles | CC1=CC(=C(C=C1Cl)[N+](=O)[O-])O |
| IUPAC Name | 4-chloro-5-methyl-2-nitrophenol |
| InChIKey | JBMGJOKJUYGIJH-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1Cl)[N+](=O)[O-])O |
| WGK Germany | 3 |
| Molecular Weight | 187.58 |
| Reaxy-Rn | 2557546 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2557546&ln= |
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 | Nitrophenols |
| Alternative Parents | Nitrotoluenes Nitrobenzenes P-chlorophenols Meta cresols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - 4-halophenol - M-cresol - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2303327 | Certificate of Analysis | Jan 03, 2023 | C153526 |
| C2303328 | Certificate of Analysis | Jan 03, 2023 | C153526 |
| C2330727 | Certificate of Analysis | Jan 03, 2023 | C153526 |
| C2330728 | Certificate of Analysis | Jan 03, 2023 | C153526 |
| Melt Point(°C) | 134 °C |
|---|---|
| Molecular Weight | 187.580 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 187.004 Da |
| Monoisotopic Mass | 187.004 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 182.000 |
| 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 |
