≥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 | 488185774 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185774 |
| Sourires canoniques | CC(=O)OC1=CC=CC=C1C#N |
| IUPAC Name | (2-cyanophenyl) acetate |
| InChIKey | XXLKCUTUGWSJJO-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3 |
| Isomères SMILES | CC(=O)OC1=CC=CC=C1C#N |
| Poids moléculaire | 161.16 |
| Reaxy-Rn | 2576295 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2576295&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 |
| Classe | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Benzonitriles Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Benzonitrile - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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 | Article |
|---|---|---|---|
 A2307121 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307124 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307126 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307127 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307128 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307132 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307139 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| A2307152 | Certificate of Analysis | Aug 25, 2022 | A151646 |
| Indice de réfraction | 1.52 |
|---|---|
| Point d'éclair (°C) | 132 °C |
| Point d'ébullition (°C) | 254°C(lit.) |
| Poids moléculaire | 161.160 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 161.048 Da |
| Monoisotopic Mass | 161.048 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
