≥98%(HPLC) 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 | 488188865 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188865 |
| Canonical Smiles | C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| IUPAC Name | 4-nitro-N-(4-nitrophenyl)aniline |
| InChIKey | MTWHRQTUBOTQTE-UHFFFAOYSA-N |
| INCHI | 1S/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H |
| Isomeric SMILES | C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| Molecular Weight | 259.22 |
| Beilstein | 12(4)1620 |
| Reaxy-Rn | 2221090 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221090&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 | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Aniline and substituted anilines Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| 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 |
|---|---|---|---|
 G2315289 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| G2315810 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| G2315811 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| G2315814 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| G2315816 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| G2315818 | Certificate of Analysis | Apr 08, 2025 | B133052 |
| Solubility | Soluble in Acetone, Acetonitrile, DMF, DMSO and Ethyl Acetate |
|---|---|
| Melt Point(°C) | 216 °C |
| Molecular Weight | 259.220 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.059 Da |
| Monoisotopic Mass | 259.059 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| 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 |
