≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488189579 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189579 |
| 정식 스마일 | CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| IUPAC Name | N-(hexylideneamino)-2,4-dinitroaniline |
| InChIKey | SJUYYAXVFFVQNX-UHFFFAOYSA-N |
| INCHI | 1S/C12H16N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h6-9,14H,2-5H2,1H3 |
| 이성체 SMILES | CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| 분자량 | 280.28 |
| Reaxy-Rn | 756483 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=756483&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 |
| 분류 | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 K2221110 | Certificate of Analysis | Sep 03, 2026 | H157138 |
| K2223258 | Certificate of Analysis | Sep 03, 2026 | H157138 |
| L2419094 | Certificate of Analysis | Dec 25, 2024 | H157138 |
| A2306077 | Certificate of Analysis | Jan 16, 2023 | H157138 |
| C1912162 | Certificate of Analysis | Jan 04, 2023 | H157138 |
| G2321032 | Certificate of Analysis | Jan 04, 2023 | H157138 |
| 녹는점(°C) | 101-103°C |
|---|---|
| 분자량 | 280.280 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 280.117 Da |
| Monoisotopic Mass | 280.117 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Mantong Zhao, Zhongyuan Liu, Mengyin Zha, Ying Sun, Haohao Shi, Xueying Zhang, Chuan Li, Guanghua Xia. (2025) Investigation of the dose and structure effects of lipid oxidation products aldehydes on the generation of heterocyclic amines: A case study of 2-amino-1-methyl-6-phenylimidazo [4,5-b] pyridine (PhIP). Food Chemistry-X, [PMID:39974535] [10.1016/j.fochx.2025.102244] |
