5-Methylisophthalonitrile
5-methylbenzene-1,3-dicarbonitrile
Also Known As: 3,5-Dicyanotoluene|5-Methylisophthalonitrile|5-methylbenzene-1,3-dicarbonitrile|ACMC-20and3|5-Methyl-isophthalonitrile|5-methyl-1,3-benzenedicarbonitrile|1,3-Benzenedicarbonitrile,5-methyl-|I14-113059|641-244-3
CAS: 39718-07-5
| Molecular Formula | C9H6N2 |
|---|---|
| Molecular Weight | 142.0531 g/mol |
| LogP | 1.73838 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.0531 |
| Monoisotopic Mass | 142.0531 |
| Heavy Atoms | 11 |
| Complexity | 320.55597 |
Chemical Identifiers
| CAS Number | 39718-07-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C#N)C#N |
Product Overview
5-Methylisophthalonitrile (CAS 39718-07-5), with molecular formula C9H6N2 and molecular weight 142.0531 g/mol. IUPAC: 5-methylbenzene-1,3-dicarbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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