Determine the necessary mass, volume, or concentration for preparing a solution.
electronic grade Electronic grade 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.
| Pubchem Sid | 504757618 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757618 |
| Canonical Smiles | C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O |
| IUPAC Name | 4-(4-aminophenoxy)aniline;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone |
| InChIKey | NXDMHKQJWIMEEE-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2O.C10H2O6/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-8H,13-14H2;1-2H |
| Isomeric SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O |
| PubChem CID | 168256 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Isobenzofurans Phenoxy compounds Phenol ethers Aniline and substituted anilines Heteroaromatic compounds Furans Lactones Oxacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Diphenylether - Diaryl ether - Isobenzofuran - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Flash Point(°C) | 59 °C - closed cup |
|---|---|
| Boil Point(°C) | 174 °C |
| Molecular Weight | 418.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 418.08 Da |
| Monoisotopic Mass | 418.08 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 511.000 |
| 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 | 2 |
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