≥98% 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 | 488194638 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194638 |
| Kanonisches Lächeln | CCOC1=C(C=CC(=C1)C#N)OC |
| IUPAC Name | 3-ethoxy-4-methoxybenzonitrile |
| InChIKey | XTIINWPNAMHVDG-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3 |
| Isomere SMILES | CCOC1=C(C=CC(=C1)C#N)OC |
| Alternative CAS-Nummer | 60758-86-3 |
| Molekulargewicht | 177.2 |
| Reaxy-Rn | 3271544 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3271544&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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Beschreibung | 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 | Datum | Artikel |
|---|---|---|---|
 D23181462 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D23181473 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D23181492 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D23181493 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D23181494 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D2318564 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| D2318566 | Certificate of Analysis | Mar 11, 2023 | E156443 |
| Löslichkeit | Soluble in Methanol |
|---|---|
| Schmelzpunkt (°C) | 72 °C |
| Molekulargewicht | 177.200 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.079 Da |
| Monoisotopic Mass | 177.079 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |
