≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(C=C1)S(=O)(=O)OCCOCCOCCOCCOC2=CC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
| InChIKey | PBZPEXXIMBOMJU-UHFFFAOYSA-N |
| INCHI | 1S/C21H27NO9S/c1-18-2-8-21(9-3-18)32(25,26)31-17-15-29-13-11-27-10-12-28-14-16-30-20-6-4-19(5-7-20)22(23)24/h2-9H,10-17H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOC2=CC=C(C=C2)[N+](=O)[O-] |
| PubChem CID | 15198044 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | p-Methylbenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 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 - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 469.500 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 15 |
| Exact Mass | 469.141 Da |
| Monoisotopic Mass | 469.141 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 604.000 |
| 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 |
