| Pubchem Sid | 488192459 |
|---|---|
| Sonrisas canónicas | CC1=CC(=C(C=C1)C#N)C#N |
| IUPAC Name | 4-methylbenzene-1,2-dicarbonitrile |
| InChIKey | MDXGRFMFORMPGT-UHFFFAOYSA-N |
| INCHI | 1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3 |
| Isómeros SMILES | CC1=CC(=C(C=C1)C#N)C#N |
| Peso molecular | 142.16 |
| Reaxy-Rn | 1866313 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866313&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Toluenes Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Toluene - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 B2327738 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327744 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327745 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327779 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327781 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327786 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327787 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327796 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| B2327798 | Certificate of Analysis | Dec 12, 2025 | M171253 |
| Punto de fusión (°C) | 119-121 °C |
|---|---|
| Peso molecular | 142.160 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.053 Da |
| Monoisotopic Mass | 142.053 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
