≥90% 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(OCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 2-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-2-methyl-1,3-dioxolane |
| InChIKey | NZVVDOLZVRXXDF-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClNO6S/c1-17(24-8-9-25-17)13-2-7-16(19(20)21)12(10-13)11-26(22,23)15-5-3-14(18)4-6-15/h2-7,10H,8-9,11H2,1H3 |
| Isomeric SMILES | CC1(OCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 1476507 |
| Molecular Weight | 397.83 |
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 | Nitrobenzenes |
| Alternative Parents | Benzenesulfonyl compounds Nitroaromatic compounds Chlorobenzenes Ketals Aryl chlorides Sulfones 1,3-dioxolanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Ketal - Halobenzene - Aryl chloride - Aryl halide - Meta-dioxolane - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Acetal - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 397.800 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 397.039 Da |
| Monoisotopic Mass | 397.039 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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 |
![2-(3-{[(4-Chlorophenyl)sulfonyl]methyl}-4-nitrophenyl)-2-methyl-1,3-dioxolane - ≥90% CAS No(339276-53-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C976061.jpg)