≥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 | 504766888 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766888 |
| Canonical Smiles | CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
| IUPAC Name | 2-ethoxycarbonyl-6-nitrobenzoic acid |
| InChIKey | SZAOZGFHEAVFMM-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO6/c1-2-17-10(14)6-4-3-5-7(11(15)16)8(6)9(12)13/h3-5H,2H2,1H3,(H,12,13) |
| Isomeric SMILES | CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
| Molecular Weight | 239.18 |
| Reaxy-Rn | 3340129 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3340129&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 | Benzoic acid esters Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoate ester - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - 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 salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 D2228006 | Certificate of Analysis | Feb 04, 2026 | E191383 |
| D2228007 | Certificate of Analysis | Feb 04, 2026 | E191383 |
| D2228008 | Certificate of Analysis | Feb 04, 2026 | E191383 |
| D2228012 | Certificate of Analysis | Feb 04, 2026 | E191383 |
| H2315236 | Certificate of Analysis | Jul 14, 2023 | E191383 |
| G2312246 | Certificate of Analysis | May 07, 2022 | E191383 |
| D2228003 | Certificate of Analysis | May 06, 2022 | E191383 |
| Melt Point(°C) | 109 - 113°C |
|---|---|
| Molecular Weight | 239.180 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.043 Da |
| Monoisotopic Mass | 239.043 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 323.000 |
| 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 |
