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Basic Description
| Synonyms | 7DA96G63WU | A832638 | 2-Nitro-1,3-benzenediol | Q209452 | 2,6-Dihydroxynitrobenzene | F2147-0941 | InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9 | NSC1542 | NSC-1542 | AI3-52603 | NSC 1542 | AMY2405 | EN300-123981 | AP-065/41884104 | CS-W010926 | R |
|---|---|
| Specifications & Purity | ≥99%(T) |
| Storage Temp | Store at 2-8°C,Protected from light |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Nitrophenols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Nitrobenzenes Resorcinols Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 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 - Nitroaromatic compound - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 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 |
| 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 |
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Names and Identifiers
| Pubchem Sid | 504752190 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752190 |
| IUPAC Name | 2-nitrobenzene-1,3-diol |
| INCHI | InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H |
| InChIKey | ZLCPKMIJYMHZMJ-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C(=C1)O)[N+](=O)[O-])O |
| Isomeric SMILES | C1=CC(=C(C(=C1)O)[N+](=O)[O-])O |
| WGK Germany | 3 |
| Molecular Weight | 155.11 |
| Beilstein | 2048819 |
| Reaxy-Rn | 2048819 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048819&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1616019 |
Certificate of Analysis | Apr 10, 2024 | N130004 |
Chemical and Physical Properties
| Solubility | Slightly soluble in water. Solubility in methanol is almost transparent. |
|---|---|
| Boil Point(°C) | 234 °C |
| Melt Point(°C) | 81-83°C |
| Molecular Weight | 155.110 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 155.022 Da |
| Monoisotopic Mass | 155.022 Da |
| Topological Polar Surface Area | 86.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| 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 |
Citations of This Product
| 1. Siyuan Zhang, Jiao He, Xinjian Cheng. (2023) Amphiphilic Hyperbranched Polymers for Selective and Sensitive Detection of 4-Nitrophenol. ACS Applied Polymer Materials, 5 (9): (7590–7601). |
| 2. Xiaojuan Niu, Huanhuan He, Hang Ran, Zhen Wu, Yue Tang, Yuangen Wu. (2023) Rapid colorimetric sensor for ultrasensitive and highly selective detection of Fumonisin B1 in cereal based on laccase-mimicking activity of silver phosphate nanoparticles. FOOD CHEMISTRY, 429 (136903). |
| 3. Die Wang, Luminita Marin, Xinjian Cheng. (2022) Chitosan-bodipy macromolecular fluorescent probes prepared by click reactions for highly sensitive and selective recognition of 2,4-dinitrophenylhydrazine. NEW JOURNAL OF CHEMISTRY, 46 (43): (20699-20710). |
| 4. Yongli Liu, Guobei Ge, Huanjia Liu, Yuxin Wang, Penghui Zhou, Bin Li, Guifen Zhu. (2024) Fast and eco-friendly synthesis of carbon dots from pinecone for highly effective detection of 2,4,6-trinitrophenol in environmental samples. ENVIRONMENTAL TECHNOLOGY, |
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