≥98%(GC) 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 | 488184990 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184990 |
| Canonical Smiles | COC1=C(C=C(C=C1)C#N)OC |
| IUPAC Name | 3,4-dimethoxybenzonitrile |
| InChIKey | OSEQIDSFSBWXRE-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1)C#N)OC |
| WGK Germany | 3 |
| Alternate CAS | 2024-83-1,23024-83-1 |
| NSC Number | 27016 |
| MeSH Entry Terms | 3,4-dimethoxybenzonitrile |
| Molecular Weight | 163.18 |
| Beilstein | 10(2)264 |
| Reaxy-Rn | 1451651 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1451651&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 | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Phenoxy compounds Benzonitriles Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2226442 | Certificate of Analysis | Feb 04, 2026 | D134348 |
| G2226456 | Certificate of Analysis | Feb 04, 2026 | D134348 |
| G2226457 | Certificate of Analysis | Feb 04, 2026 | D134348 |
| F2320157 | Certificate of Analysis | Apr 09, 2025 | D134348 |
| D23061308 | Certificate of Analysis | Jan 14, 2025 | D134348 |
| C1819026 | Certificate of Analysis | Aug 07, 2023 | D134348 |
| C2203058 | Certificate of Analysis | Mar 12, 2022 | D134348 |
| Solubility | Soluble in methanol. |
|---|---|
| Melt Point(°C) | 69 °C |
| Molecular Weight | 163.170 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.063 Da |
| Monoisotopic Mass | 163.063 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
