≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile is a useful organic compound for research related to life sciences.
| Pubchem Sid | 508817285 |
|---|---|
| Canonical Smiles | COCCOC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OCCOC |
| IUPAC Name | 4,5-bis(2-methoxyethoxy)-2-nitrobenzonitrile |
| InChIKey | JNNCLIICKUIURH-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O6/c1-18-3-5-20-12-7-10(9-14)11(15(16)17)8-13(12)21-6-4-19-2/h7-8H,3-6H2,1-2H3 |
| Isomeric SMILES | COCCOC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OCCOC |
| PubChem CID | 16063393 |
| Molecular Weight | 296.28 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzonitriles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Benzonitrile - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| 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 |
|---|---|---|---|
 H2405295 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| H2405296 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| H2405301 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| H2405302 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| H2405303 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| H2405304 | Certificate of Analysis | Jul 25, 2024 | B728632 |
| Molecular Weight | 296.280 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 296.101 Da |
| Monoisotopic Mass | 296.101 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
