≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186247 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186247 |
| Canonical Smiles | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C |
| IUPAC Name | 2,4-dimethyl-6-nitrophenol |
| InChIKey | KJRCHILWKQLEBC-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C |
| Molecular Weight | 167.16 |
| Beilstein | 6(4)3138 |
| Reaxy-Rn | 2047307 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047307&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 | Xylenols Nitrotoluenes Nitrobenzenes m-Xylenes Para cresols Ortho cresols Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Nitrobenzene - Xylenol - Nitrotoluene - Nitroaromatic compound - M-xylene - Xylene - O-cresol - P-cresol - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 |
|---|---|---|---|
 H2329182 | Certificate of Analysis | Sep 04, 2023 | D155949 |
| H2329808 | Certificate of Analysis | Sep 04, 2023 | D155949 |
| H2329809 | Certificate of Analysis | Sep 04, 2023 | D155949 |
| H2329810 | Certificate of Analysis | Sep 04, 2023 | D155949 |
| G2501020 | Certificate of Analysis | Sep 02, 2023 | D155949 |
| H2329776 | Certificate of Analysis | Sep 02, 2023 | D155949 |
| H2329778 | Certificate of Analysis | Sep 02, 2023 | D155949 |
| H2329779 | Certificate of Analysis | Sep 02, 2023 | D155949 |
| H2329807 | Certificate of Analysis | Sep 02, 2023 | D155949 |
| Melt Point(°C) | 71 °C |
|---|---|
| Molecular Weight | 167.160 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 167.058 Da |
| Monoisotopic Mass | 167.058 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
| 1. Yimeng Wang, Jie Wang. (2016) Multifaceted effects of HZSM-5 (Proton-exchanged Zeolite Socony Mobil-5) on catalytic cracking of pinewood pyrolysis vapor in a two-stage fixed bed reactor. BIORESOURCE TECHNOLOGY, [PMID:27209452] [10.1016/j.biortech.2016.05.027] |
| 2. Jianbin Ju, Yuji Ruan, Huifeng Deng, Xiaowen Huang, Guihua Ruan, Yipeng Huang. (2025) Facile synthesis of thiocyano-functionalized dendritic mesoporous silica spheres for efficient extraction of eugenol anesthetics from aquatic products. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.113078] |
