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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Nitrophenyl disulfide - ≥98% , CAS No.537-91-7
Synonyms
BDBM81213 | SR-01000872609-2 | 1-Nitro-3-[(3-nitrophenyl)dithio]benzene | NSC42172 | NSC-42172 | A829773 | NSC66160 | 3,3'-Dinitrodiphenyl disulfide | Disulfide, bis(m-nitrophenyl) | SR-01000872609 | 1-Nitro-3-[(3-nitrophenyl)disulfanyl]benzene | 3-nitrop
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
BDBM81213 | SR-01000872609-2 | 1-Nitro-3-[(3-nitrophenyl)dithio]benzene | NSC42172 | NSC-42172 | A829773 | NSC66160 | 3, 3'-Dinitrodiphenyl disulfide | Disulfide, bis(m-nitrophenyl) | SR-01000872609 | 1-Nitro-3-[(3-nitrophenyl)disulfanyl]benzene | 3-nitrop
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504752012 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752012 Canonical Smiles C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] IUPAC Name 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene InChIKey ODOFDWDUSSFUMN-UHFFFAOYSA-N INCHI 1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H Isomeric SMILES C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] WGK Germany 3 UN Number 3077 Molecular Weight 308.33 Beilstein 6(4)1686 Reaxy-Rn 2005775 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2005775&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 a small molecule Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Tetrahydrofuran Sensitivity Stench Melt Point(°C) 78-80°C Molecular Weight 308.300 g/mol XLogP3 4.100 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 324.000 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
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