3,6-Dimethoxyphthalonitrile
3,6-dimethoxybenzene-1,2-dicarbonitrile
Also Known As: 3,6-dimethoxyphthalonitrile|3,6-dimethoxybenzene-1,2-dicarbonitrile|36-Dimethoxyphthalonitrile|1,2-Benzenedicarbonitrile, 3,6-dimethoxy-|1,4-Dimethoxy-2,3-dicyanobenzene|3,6-dimethoxybenzene-1,2-dinitrile|J2.612.140J|AK-087/42718277
CAS: 40904-87-8
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.05858 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Monoisotopic Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 40904-87-8 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)OC)C#N)C#N |
| InChIKey | RBECBXIJJTWGFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Dyes & Pigments (23 patents)
Heterocyclic Building Blocks (14 patents)
Organic Building Blocks (19 patents)
Organometallic Reagents (3 patents)
Pharmaceutical Intermediates (4 patents)
Surfactants & Detergents (14 patents)
Product Overview
3,6-Dimethoxyphthalonitrile (CAS 40904-87-8), with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol. IUPAC: 3,6-dimethoxybenzene-1,2-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.
View MSDS →
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