≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488189536 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189536 |
| Canonical Smiles | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| IUPAC Name | 5-methoxy-2-nitrobenzoic acid |
| InChIKey | URADKXVAIGMTEG-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
| Isomeric SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 197.14 |
| Reaxy-Rn | 1877657 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877657&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 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - M-methoxybenzoic acid or derivatives - Nitrophenyl ether - Benzoic acid - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid - Ether - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid 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 |
|---|---|---|---|
 C1816043 | Certificate of Analysis | Oct 14, 2025 | M119342 |
| C1816042 | Certificate of Analysis | Oct 14, 2025 | M119342 |
| B23171136 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| B23171158 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| B23171181 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| B23171183 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| B23171195 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| B2318111 | Certificate of Analysis | Jan 05, 2023 | M119342 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 125-130°C |
| Molecular Weight | 197.140 g/mol |
| XLogP3 | 1.500 |
| 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 | 236.000 |
| 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 |
