≥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 | 488190592 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190592 |
| Canonical Smiles | CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C |
| IUPAC Name | 2,3-dimethyl-6-nitroaniline |
| InChIKey | YEFYPFWBLCARLC-UHFFFAOYSA-N |
| INCHI | 1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3 |
| Isomeric SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C |
| Molecular Weight | 166.18 |
| Beilstein | 121102 |
| Reaxy-Rn | 2641279 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641279&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 | Nitrotoluenes o-Xylenes Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitrotoluene - Aniline or substituted anilines - Nitroaromatic compound - Xylene - O-xylene - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic zwitterion - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
|---|---|---|---|
 G2215731 | Certificate of Analysis | Apr 07, 2026 | N159026 |
| G2215734 | Certificate of Analysis | Apr 07, 2026 | N159026 |
| G2215735 | Certificate of Analysis | Apr 07, 2026 | N159026 |
| K2116516 | Certificate of Analysis | Aug 13, 2025 | N159026 |
| K2116519 | Certificate of Analysis | Aug 13, 2025 | N159026 |
| I1920013 | Certificate of Analysis | Jul 10, 2023 | N159026 |
| D2323852 | Certificate of Analysis | May 26, 2022 | N159026 |
| D2323843 | Certificate of Analysis | Apr 08, 2021 | N159026 |
| Melt Point(°C) | 116-120℃ |
|---|---|
| Molecular Weight | 166.180 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 166.074 Da |
| Monoisotopic Mass | 166.074 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
