≥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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181527 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181527 |
| Canonical Smiles | C1=C(C=C(C(=C1Cl)O)Cl)[N+](=O)[O-] |
| IUPAC Name | 2,6-dichloro-4-nitrophenol |
| InChIKey | PXSGFTWBZNPNIC-UHFFFAOYSA-N |
| INCHI | 1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)O)Cl)[N+](=O)[O-] |
| WGK Germany | 3 |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 208 |
| Beilstein | 1245045 |
| Reaxy-Rn | 1245045 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1245045&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 | Nitrobenzenes O-chlorophenols Nitroaromatic compounds Dichlorobenzenes 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 | Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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 |
|---|---|---|---|
 I2227200 | Certificate of Analysis | Apr 02, 2026 | D102135 |
| I2227203 | Certificate of Analysis | Apr 02, 2026 | D102135 |
| I2227204 | Certificate of Analysis | Apr 02, 2026 | D102135 |
| A1704054 | Certificate of Analysis | Dec 22, 2025 | D102135 |
| I2320407 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| I2320408 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| I2320409 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| I2320451 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| I2320452 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| I2320453 | Certificate of Analysis | Jun 10, 2025 | D102135 |
| G2405191 | Certificate of Analysis | Apr 10, 2024 | D102135 |
| Solubility | Soluble in methanol |
|---|---|
| Melt Point(°C) | 123-126°C |
| Molecular Weight | 208.000 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 206.949 Da |
| Monoisotopic Mass | 206.949 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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. He Liu, Zixia Hu, Ningning Han, Yi Yang, Guode Zhao, Mengdie Su, Yue Zhang, Weiwei Li, Ying Peng, Jiang Zheng. (2023) Metabolic activation and cytotoxicity of metaxalone mediated by cytochrome P450 enzymes and sulfotransferases. CHEMICO-BIOLOGICAL INTERACTIONS, [PMID:37442290] [10.1016/j.cbi.2023.110628] |
| 2. Kaixuan Li, Guode Zhao, Lan Yang, Xingyu Gao, Yudi Jia, Yang Wang, Xiaohong Zhang, Weiwei Li, Ying Peng, Jiang Zheng. (2023) Metabolic activation and cytotoxicity of 4-methylquinoline mediated by CYP3A4 and sulfotransferases in rats. FOOD AND CHEMICAL TOXICOLOGY, [PMID:37268085] [10.1016/j.fct.2023.113865] |
| 3. Xin Wang, Guangyun Ran, Yufen Liao, Bowen Gong, Chutian Wu, Rong Tan, Ying Liu, Shiyu Zhang, Ying Peng, Weiwei Li, Jiang Zheng. (2023) Formation of RNA adducts resulting from metabolic activation of spice ingredient safrole mediated by P450 enzymes and sulfotransferases. FOOD AND CHEMICAL TOXICOLOGY, [PMID:36841326] [10.1016/j.fct.2023.113688] |
| 4. Liangliang He, Chanjuan Chen, Shuyi Duan, Yang Li, Chuan Li, Xinsheng Yao, Frank J. Gonzalez, Zifei Qin, Zhihong Yao. (2022) Inhibition of estrogen sulfation by Xian-Ling-Gu-Bao capsule. JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, [PMID:36152789] [10.1016/j.jsbmb.2022.106182] |
| 5. Jiayue Dong, Peizeng Yang, Jing Chen, Yuefei Ji, Junhe Lu. (2022) Nitrophenolic byproducts formation during sulfate radical oxidation and their fate in simulated drinking water treatment processes. WATER RESEARCH, [PMID:36088770] [10.1016/j.watres.2022.119054] |
| 6. Min Zhao, Junzu Shi, Wei Li, Chunjing Guan, Chen Sun, Ying Peng, Jiang Zheng. (2022) Metabolic Activation of Gemfibrozil Mediated by Cytochrome P450 Enzymes and Sulfotransferases. CHEMICAL RESEARCH IN TOXICOLOGY, [PMID:35763595] [10.1021/acs.chemrestox.2c00054] |
| 7. Lan Yang, Lihua Xin, Junzu Shi, Wei Li, Min Tian, Zixia Hu, Ying Peng, Jiang Zheng. (2021) Metabolic Activation and Cytotoxicity of Labetalol Hydrochloride Mediated by Sulfotransferases. CHEMICAL RESEARCH IN TOXICOLOGY, [PMID:33872499] [10.1021/acs.chemrestox.1c00060] |
| 8. Yan He, Zihao Cheng, Jingyu Zhang, Yu Chen, Guode Zhao, Hong Tang, Yufen Liao, Tingmin Ye, Ying Peng, Weiwei Li, Jiang Zheng. (2024) RNA Adduction Resulting from the Metabolic Activation of Myristicin by P450 Enzymes and Sulfotransferases. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:38959404] [10.1021/acs.jafc.4c01676] |
| 9. Xingxing Huang, Yujie Ao, Haocheng Yang, Muyu Feng, Xuan Wang, Rui Chen, Qing Yang, Jinsuo Lu. (2025) A novel approach to healthy water Treatment: Boiling-Based UV photoelectrochemical oxidation process for the removal of disinfection by-products from drinking water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.163658] |
| 10. Jiacheng Ge, Xiaoyan Chen, Zhenqi Du, Yingying Zhou, Ruixin Qu, Jiangdong Cui, Shunke Ding, Wenhai Chu. (2025) Kinetic stability and transformation pathway of halogenated nitrophenols in drinking water. JOURNAL OF HAZARDOUS MATERIALS, [PMID:40482509] [10.1016/j.jhazmat.2025.138812] |
| 11. Xingxing Huang, Xiaojiang Huang, Muyu Feng, Haocheng Yang, Xuan Wang, Zhiqiang Zhang, Jinsuo Lu. (2025) Electrochemically assisted UV-enhanced boiling of drinking water to reduce human exposure to disinfection byproducts. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.164601] |
| 12. Saleem Raza, Cheng Chen, Wei Yu, Muslim Raza, Malik Taj Ahmad, Nisha Singh, Liguo Shen, Hongjun Lin. (2025) Hydrothermal growth of MnCO3 and covalent organic framework on the surface of MXene with sodium alginate hydrogel for effective photocatalytic eradication of disinfected byproducts. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.117682] |
