Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-].Cl |
|---|---|
| IUPAC Name | 2-[[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino]guanidine;hydrochloride |
| InChIKey | ZEGPTFVBNBCAHZ-LMFJUDGVSA-N |
| INCHI | 1S/C14H12N6O6.ClH/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24;/h1-8H,(H4,15,16,18);1H/b3-1+,4-2+; |
| Isómeros SMILES | C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=NN=C(N)N)/C=C/C2=CC=C(O2)[N+](=O)[O-].Cl |
| Peso molecular | 396.74 |
| Reaxy-Rn | 29770695 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29770695&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Furans |
| Subclass | Nitrofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrofurans |
| Alternative Parents | Nitroaromatic compounds Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - 2-nitrofuran - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Guanidine - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group. |
| External Descriptors | Not available |
| Solubilidad | DMSO (Slightly) |
|---|---|
| Sensibilidad | Hygroscopic |
| Punto de inflamación (°C) | 313.4℃ |
| Punto de ebullición (°C) | 594.6℃ at 760 mmHg |
| Peso molecular | 396.740 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.059 Da |
| Monoisotopic Mass | 396.059 Da |
| Topological Polar Surface Area | 195.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 601.000 |
| 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 | 2 |