≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Kanonisches Lächeln | COC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
|---|---|
| IUPAC Name | 2-hydroxy-5-methoxy-3-nitrobenzaldehyde |
| InChIKey | CCHTVTHOPTTYSY-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3 |
| Isomere SMILES | COC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
| Molekulargewicht | 197.146 |
| Reaxy-Rn | 2053218 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053218&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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Nitrobenzaldehydes Methoxyphenols Nitrophenols 4-alkoxyphenols Hydroxybenzaldehydes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Vinylogous acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzaldehyde - Nitrophenyl ether - Nitrophenol - Methoxyphenol - Methoxyaniline - Hydroxybenzaldehyde - 4-alkoxyphenol - Nitroaromatic compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - Aryl-aldehyde - Vinylogous acid - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Aromatic homomonocyclic compound |
| Beschreibung | This compound 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. |
| External Descriptors | Not available |
| Schmelzpunkt (°C) | 129-134°C |
|---|---|
| Molekulargewicht | 197.140 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 197.032 Da |
| Monoisotopic Mass | 197.032 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
