≥98% 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 | 488190589 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190589 |
| Canonical Smiles | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
| IUPAC Name | methyl 2-hydroxy-3-nitrobenzoate |
| InChIKey | NIBVYEHAFBEVFI-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,10H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
| Molecular Weight | 197.15 |
| Reaxy-Rn | 2113015 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2113015&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 | o-Hydroxybenzoic acid esters Salicylic acid and derivatives Nitrophenols Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - O-hydroxybenzoic acid ester - Benzoate ester - Nitrophenol - Salicylic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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 |
|---|---|---|---|
 C2215569 | Certificate of Analysis | Dec 10, 2025 | M102771 |
| C2215573 | Certificate of Analysis | Dec 10, 2025 | M102771 |
| K1222053 | Certificate of Analysis | Aug 12, 2024 | M102771 |
| E2326771 | Certificate of Analysis | Apr 21, 2023 | M102771 |
| E2327316 | Certificate of Analysis | Apr 21, 2023 | M102771 |
| E2327319 | Certificate of Analysis | Apr 21, 2023 | M102771 |
| E2327323 | Certificate of Analysis | Apr 21, 2023 | M102771 |
| D2318438 | Certificate of Analysis | Feb 20, 2022 | M102771 |
| Melt Point(°C) | 127-132°C |
|---|---|
| Molecular Weight | 197.140 g/mol |
| XLogP3 | 1.900 |
| 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 |
