≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Canonical Smiles | CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NNC(=O)C3=CC(=C(C(=C3)Br)O)Br |
|---|---|
| IUPAC Name | 3,5-dibromo-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-4-hydroxybenzamide |
| InChIKey | DUGCMEGLYHBMAR-AUEPDCJTSA-N |
| INCHI | 1S/C20H16Br2N4O4/c1-11-6-14(12(2)25(11)15-4-3-5-16(9-15)26(29)30)10-23-24-20(28)13-7-17(21)19(27)18(22)8-13/h3-10,27H,1-2H3,(H,24,28)/b23-10+ |
| Isomeric SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=N/NC(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Molecular Weight | 536.17 |
| Reaxy-Rn | 32158068 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32158068&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 | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | 3-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds O-bromophenols Bromobenzenes Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Organobromides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic salts |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Halobenzene - Phenol - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| 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 |
|---|---|---|---|
 C2419321 | Certificate of Analysis | Jan 27, 2024 | K288474 |
| C2419322 | Certificate of Analysis | Jan 27, 2024 | K288474 |
| C2419323 | Certificate of Analysis | Jan 27, 2024 | K288474 |
| C2419324 | Certificate of Analysis | Jan 27, 2024 | K288474 |
| C2419325 | Certificate of Analysis | Jan 27, 2024 | K288474 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 53.62, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 536.200 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 535.952 Da |
| Monoisotopic Mass | 533.954 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
