≥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 | 488183821 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183821 |
| Canonical Smiles | COC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| IUPAC Name | 1,4-dimethoxy-2-nitrobenzene |
| InChIKey | UPTOWXNJLZJTGD-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3 |
| Isomeric SMILES | COC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| Molecular Weight | 183.16 |
| Beilstein | 6(3)4442 |
| Reaxy-Rn | 2330421 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2330421&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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Dimethoxybenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Dimethoxybenzene - P-dimethoxybenzene - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
|---|---|---|---|
 F2330048 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| K2218232 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| K2218233 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| K2218234 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| K2218235 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| K2218236 | Certificate of Analysis | Sep 06, 2022 | D155509 |
| Boil Point(°C) | 169°C/13mmHg(lit.) |
|---|---|
| Melt Point(°C) | 72 °C |
| Molecular Weight | 183.160 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.053 Da |
| Monoisotopic Mass | 183.053 Da |
| Topological Polar Surface Area | 64.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
