≥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 | 488183124 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183124 |
| Canonical Smiles | CC1=CC=CC=C1CC#N |
| IUPAC Name | 2-(2-methylphenyl)acetonitrile |
| InChIKey | WMGVPDQNPUQRND-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3 |
| Isomeric SMILES | CC1=CC=CC=C1CC#N |
| RTECS | AM2290000 |
| Molecular Weight | 131.18 |
| Beilstein | 9527 |
| Reaxy-Rn | 907182 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907182&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 | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Toluenes Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | nitrile |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1805120 | Certificate of Analysis | Apr 15, 2026 | O160033 |
| I1805119 | Certificate of Analysis | Apr 15, 2026 | O160033 |
| L2403666 | Certificate of Analysis | Jun 19, 2024 | O160033 |
| L2403668 | Certificate of Analysis | Jun 19, 2024 | O160033 |
| J2229381 | Certificate of Analysis | Aug 15, 2022 | O160033 |
| J2229383 | Certificate of Analysis | Aug 15, 2022 | O160033 |
| J2229386 | Certificate of Analysis | Aug 15, 2022 | O160033 |
| J2229387 | Certificate of Analysis | Aug 15, 2022 | O160033 |
| D2324170 | Certificate of Analysis | Jul 12, 2022 | O160033 |
| Solubility | Slightly soluble in water. Soluble in benzene, ethyl ether, ethanol. |
|---|---|
| Refractive Index | 1.53 |
| Flash Point(°F) | >230°F |
| Flash Point(°C) | >110°C |
| Boil Point(°C) | 120°C/13mmHg(lit.) |
| Molecular Weight | 131.170 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.073 Da |
| Monoisotopic Mass | 131.073 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
