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.
7-(p-Methoxybenzylamino)-4-nitrobenz-2-oxa-1,3-diazole is a fluorescent probe for hydrophobic regions of proteins.
| Canonical Smiles | COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine |
| InChIKey | IENONFJSMWUIQQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 99555 |
| Molecular Weight | 300.27 |
| Beilstein | 1151390 |
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 |
| Class | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Secondary alkylarylamines Heteroaromatic compounds Furazans Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Phenoxy compound - Nitroaromatic compound - Anisole - Phenylmethylamine - Benzylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxadiazole - Furazan - Organic nitro compound - C-nitro compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
| Solubility | Soluble in water (partly). |
|---|---|
| Refractive Index | n20D1.69 (Predicted) |
| Boil Point(°C) | 500.83° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 174-177° C |
| Molecular Weight | 300.270 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 300.086 Da |
| Monoisotopic Mass | 300.086 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |
