≥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.
2,6-Dimethyl-4-nitrophenol was used to study the disposition requirement for binding of p-nitrophenol and sodium p-nitrophenolate like substrates with cyclohexaamylaose. It was used as internal standard in determination of 4-nitrophenol and 3-methyl-4-nitrophenol in human urine by liquid chromatography combined with tandem mass spectrometry .
| Pubchem Sid | 488182330 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182330 |
| Sonrisas canónicas | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
| IUPAC Name | 2,6-dimethyl-4-nitrophenol |
| InChIKey | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3 |
| Isómeros SMILES | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
| WGK Alemania | 3 |
| RTECS | ZE8225000 |
| Peso molecular | 167.16 |
| Beilstein | 1873280 |
| Reaxy-Rn | 1873275 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873275&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 |
| Clase | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Nitrotoluenes Nitrobenzenes m-Xylenes 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 - Nitrotoluene - Nitroaromatic compound - M-xylene - Xylene - O-cresol - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 C1927111 | Certificate of Analysis | Jan 26, 2023 | D155341 |
| D2307354 | Certificate of Analysis | Jan 26, 2023 | D155341 |
| L2208498 | Certificate of Analysis | Jan 05, 2023 | D155341 |
| K2230129 | Certificate of Analysis | Dec 07, 2022 | D155341 |
| Punto de fusión (°C) | 168°C |
|---|---|
| Peso molecular | 167.160 g/mol |
| XLogP3 | 1.200 |
| 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 | 166.000 |
| 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. Xing Jiali, Xu Xiaorong, Li Yang, Chen Cancan, Mao Lingyan, Luo Xiaohu, Shen Jian, Cheng Hai, Zhang Shufen, Guo Yahui, Gan Ning. (2023) Simultaneous detection of multiple phenolic compounds in shrimps through gas chromatography–mass spectrometry coupled with a modified QuEChERS. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, [PMID:] [10.1007/s00217-023-04430-7] |
| 2. Jiali Xing, Yang Li, Ruihang Zheng, Hao Shen, Xiaorong Xu, Lingyan Mao, Xiaohu Luo, Jian Shen, Weirong Yao. (2022) Simultaneous detection of multiple phenolic compounds in fish by gas chromatography-mass spectrometry following a modified QuEChERS cleanup. Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment, [PMID:35442851] [10.1080/19440049.2022.2062058] |
