Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)- (CHEM058885)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 22:54:52 UTC | ||||||||
| Update Date | 2026-09-01 15:12:52 UTC | ||||||||
| Accession Number | CHEM058885 | ||||||||
| Identification | |||||||||
| Common Name | Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)- is an organic compound with the chemical formula C9H12N2O4 and an average molecular weight of 212.21 g/mol. Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)- belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. In an industrial context, this compound is utilized as a dye. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C9H12N2O4 | ||||||||
| Average Molecular Mass | 212.205 g/mol | ||||||||
| Monoisotopic Mass | 212.080 g/mol | ||||||||
| CAS Registry Number | 57524-53-5 | ||||||||
| IUPAC Name | 2-(4-methoxy-2-nitroanilino)ethanol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC(=C(NCCO)C=C1)[N+]([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C9H12N2O4/c1-15-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3 | ||||||||
| InChI Key | WCBLXRCPLCDWCS-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Nitrobenzenes | ||||||||
| Direct Parent | Nitrophenyl ethers | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 42394 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
