≥98%(HPLC)(T) 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182389 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182389 |
| Canonical Smiles | CC1=C(C=CC(=C1)O)[N+](=O)[O-] |
| IUPAC Name | 3-methyl-4-nitrophenol |
| InChIKey | PIIZYNQECPTVEO-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)O)[N+](=O)[O-] |
| RTECS | GP2625000 |
| Molecular Weight | 153.14 |
| Beilstein | 6386 |
| Reaxy-Rn | 1868105 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868105&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 Nitroaromatic compounds Meta cresols 1-hydroxy-2-unsubstituted benzenoids 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-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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 - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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 | C-nitro compound |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2603091 | Certificate of Analysis | Apr 18, 2026 | N159535 |
| B2219307 | Certificate of Analysis | Dec 16, 2025 | N159535 |
| B2219308 | Certificate of Analysis | Dec 16, 2025 | N159535 |
| B2219309 | Certificate of Analysis | Dec 16, 2025 | N159535 |
| B2219310 | Certificate of Analysis | Dec 16, 2025 | N159535 |
| A1815142 | Certificate of Analysis | Aug 15, 2025 | N159535 |
| H2109164 | Certificate of Analysis | May 07, 2025 | N159535 |
| H2109165 | Certificate of Analysis | May 07, 2025 | N159535 |
| D2428388 | Certificate of Analysis | Mar 23, 2024 | N159535 |
| E2414247 | Certificate of Analysis | Mar 23, 2024 | N159535 |
| G2412017 | Certificate of Analysis | Dec 20, 2021 | N159535 |
| Solubility | Chloroform (Slightly), Methanol (Sparingly) |
|---|---|
| Melt Point(°C) | 127.0 to 130.0 °C |
| Molecular Weight | 153.140 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 153.043 Da |
| Monoisotopic Mass | 153.043 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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. Xin Yu, Chao Zhou, Zhanhua Huang, Changhui Xin, Yanjing Lin, Fengdan Fu, Shijie Li, Weiping Zhang. (2022) Rational design of AgCl@Zr3+-ZrO2 nanostructures for ultra-efficient visible-light photodegradation of emerging pollutants. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2022.122308] |
| 3. 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] |
| 4. Jielin Huang, Shuaifei Liu, Wen Long, Qi Wang, Xin Yu, Shijie Li. (2021) Highly enhanced photodegradation of emerging pollutants by Ag/AgCl/Ta2O5−x mesocrystals. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2021.119733] |
| 5. Wenting Zhu, Yushun Zhou, Shuai Liu, Mei Luo, Jun Du, Jieping Fan, Hua Xiong, Hailong Peng. (2021) A novel magnetic fluorescent molecularly imprinted sensor for highly selective and sensitive detection of 4-nitrophenol in food samples through a dual‐recognition mechanism. FOOD CHEMISTRY, [PMID:33515947] [10.1016/j.foodchem.2021.129126] |
