≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504766684 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766684 |
| Canonical Smiles | CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
| IUPAC Name | 1-methylsulfonyl-2-nitrobenzene |
| InChIKey | VAUDOALZTARJIW-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 |
| Isomeric SMILES | CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
| Molecular Weight | 201.2 |
| Reaxy-Rn | 2213129 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213129&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Benzenesulfonyl compounds Nitroaromatic compounds Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2301428 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2301431 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2301555 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2301558 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2301567 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2303025 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2303268 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| G2303291 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| J2511074 | Certificate of Analysis | Jun 09, 2023 | M183502 |
| Melt Point(°C) | 107 °C |
|---|---|
| Molecular Weight | 201.200 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 201.01 Da |
| Monoisotopic Mass | 201.01 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| 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 |
