| Pubchem Sid | 488198407 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198407 |
| Sonrisas canónicas | CC1=C(C=CC(=C1C)O)[N+](=O)[O-] |
| IUPAC Name | 2,3-dimethyl-4-nitrophenol |
| InChIKey | DAEZHJNJHQAEPE-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3 |
| Isómeros SMILES | CC1=C(C=CC(=C1C)O)[N+](=O)[O-] |
| Peso molecular | 167.16 |
| Reaxy-Rn | 2965778 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2965778&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 o-Xylenes Ortho cresols Nitroaromatic compounds Meta cresols 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - M-cresol - O-xylene - Xylene - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - 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 salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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 |
| Punto de fusión (°C) | 125 °C |
|---|---|
| Peso molecular | 167.160 g/mol |
| XLogP3 | 1.400 |
| 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. Xiaoyu He, Wangcheng Lan, Yuancai Lv, Xiaojing Li, Chen Tian. (2026) Efficiently Monitoring Trace Nitrophenol Pollutants in Water Through the Dispersive Solid-Phase Extraction Based on Porous Organic Polymer-Modified Cellulose Nanofiber Membrane. Chemosensors, 14 (2): (31). [PMID:] [10.3390/chemosensors14020031] |
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