| Pubchem Sid | 488187747 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187747 |
| Sonrisas canónicas | CC1=CC(=CC(=C1)CC#N)C |
| IUPAC Name | 2-(3,5-dimethylphenyl)acetonitrile |
| InChIKey | LMUKNQSVBFEUKR-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3 |
| Isómeros SMILES | CC1=CC(=CC(=C1)CC#N)C |
| Peso molecular | 145.2 |
| Beilstein | 2573956 |
| Reaxy-Rn | 2573956 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573956&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | m-Xylenes Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - M-xylene - Xylene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2120249 | Certificate of Analysis | Jun 09, 2025 | D136591 |
| H2120252 | Certificate of Analysis | Jun 09, 2025 | D136591 |
| H2504187 | Certificate of Analysis | May 21, 2025 | D136591 |
| H2504197 | Certificate of Analysis | May 21, 2025 | D136591 |
| D23141450 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| D23141469 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| D23141490 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| D23141499 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| D23141548 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| D23141564 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| K2330157 | Certificate of Analysis | Jan 07, 2023 | D136591 |
| K2207067 | Certificate of Analysis | Nov 10, 2022 | D136591 |
| K2207066 | Certificate of Analysis | Nov 10, 2022 | D136591 |
| Solubilidad | Insoluble in water |
|---|---|
| Punto de ebullición (°C) | 170°/20mm |
| Punto de fusión (°C) | 42-45°C |
| Peso molecular | 145.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 145.089 Da |
| Monoisotopic Mass | 145.089 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
