≥98%(HPLC) 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.
| カノニカル・スマイル | C1=CC(=C(C=C1C=CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC3=CC(=C(C=C3)Cl)Cl)Cl)Cl |
|---|---|
| IUPAC Name | 1,5-bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene |
| InChIKey | YYZPXBXVBQSBDG-IJIVKGSJSA-N |
| INCHI | 1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+ |
| 異性体SMILES | C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])/C=C/C3=CC(=C(C=C3)Cl)Cl)Cl)Cl |
| 分子量 | 510.15 |
| Reaxy-Rn | 33856796 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33856796&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 | Phenylpropanoids and polyketides |
| 分類 | Diarylheptanoids |
| Subclass | Linear diarylheptanoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear diarylheptanoids |
| Alternative Parents | Stilbenes Nitrobenzenes Styrenes Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Linear 1,7-diphenylheptane skeleton - Stilbene - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 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 - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organopnictogen compound - Organochloride - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. |
| External Descriptors | Not available |
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| 溶解度 | Solvent:DMSO, Max Conc. mg/mL: 5.1, Max Conc. mM: 10 |
|---|---|
| 分子量 | 510.100 g/mol |
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 509.952 Da |
| Monoisotopic Mass | 507.955 Da |
| Topological Polar Surface Area | 91.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 668.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
