≥96% 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 | 488190162 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190162 |
| Canonical Smiles | COC(=O)CC1=CC(=CC=C1)[N+](=O)[O-] |
| IUPAC Name | methyl 2-(3-nitrophenyl)acetate |
| InChIKey | BFGYITRIATVARH-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3 |
| Isomeric SMILES | COC(=O)CC1=CC(=CC=C1)[N+](=O)[O-] |
| Molecular Weight | 195.17 |
| Reaxy-Rn | 1966285 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966285&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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| 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 |
|---|---|---|---|
 D2308641 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308645 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308650 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308651 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308652 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308653 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308719 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| D2308720 | Certificate of Analysis | Feb 17, 2023 | M157907 |
| Flash Point(°C) | 142 °C |
|---|---|
| Boil Point(°C) | 130°C/20mmHg(lit.) |
| Melt Point(°C) | 28 °C |
| Molecular Weight | 195.170 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 195.053 Da |
| Monoisotopic Mass | 195.053 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
