≥99% 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 | 488181536 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181536 |
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChIKey | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| WGK Germany | 3 |
| RTECS | DH5775000 |
| Molecular Weight | 181.15 |
| Beilstein | 1912198 |
| Reaxy-Rn | 1912198 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912198&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 Nitroaromatic compounds Benzoyl derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen 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 |
|---|---|---|---|
 G2228341 | Certificate of Analysis | May 19, 2026 | E106598 |
| G2228348 | Certificate of Analysis | May 19, 2026 | E106598 |
| G2228350 | Certificate of Analysis | May 19, 2026 | E106598 |
| K2129353 | Certificate of Analysis | Sep 08, 2025 | E106598 |
| A2127034 | Certificate of Analysis | Nov 04, 2024 | E106598 |
| K2526348 | Certificate of Analysis | Jul 04, 2024 | E106598 |
| K2526351 | Certificate of Analysis | Jul 04, 2024 | E106598 |
| I1820233 | Certificate of Analysis | Jul 20, 2022 | E106598 |
| K2408086 | Certificate of Analysis | Jun 27, 2022 | E106598 |
| D2310305 | Certificate of Analysis | Dec 07, 2021 | E106598 |
| L2419058 | Certificate of Analysis | Dec 07, 2021 | E106598 |
| Melt Point(°C) | 96°C |
|---|---|
| Molecular Weight | 181.150 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 181.038 Da |
| Monoisotopic Mass | 181.038 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |
