≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
Application：
Reactant or reagent involved in:
Electrophilic cyclization of 2-alkynylanisoles or alkynylanilines
Oxidative chlorination to sulfonyl chlorides
Arylation with triarylbismuthanes
Decarboxylative cross-coupling with dialkoxybenzoic acids
Disulfidation of alkenes
| Pubchem Sid | 504751363 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751363 |
| Canonical Smiles | C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene |
| InChIKey | KWGZRLZJBLEVFZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-] |
| WGK Germany | 3 |
| RTECS | JO1550000 |
| Molecular Weight | 308.33 |
| Beilstein | 6340 |
| Reaxy-Rn | 1889811 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1889811&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 | Nitroaromatic compounds Organic disulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic disulfide - Organic nitro compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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 |
|---|---|---|---|
 D2326787 | Certificate of Analysis | Apr 01, 2023 | N101815 |
| D2326790 | Certificate of Analysis | Apr 01, 2023 | N101815 |
| D2326797 | Certificate of Analysis | Apr 01, 2023 | N101815 |
| D2608074 | Certificate of Analysis | Apr 01, 2023 | N101815 |
| C2208138 | Certificate of Analysis | Mar 24, 2022 | N101815 |
| Melt Point(°C) | 183°C |
|---|---|
| Molecular Weight | 308.300 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 307.993 Da |
| Monoisotopic Mass | 307.993 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 308.000 |
| 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 |
