Cas no 537-91-7 (1-Nitro-3-(3-nitrophenyl)dithiobenzene)

1-Nitro-3-(3-nitrophenyl)dithiobenzene structure
537-91-7 structure
Product Name:1-Nitro-3-(3-nitrophenyl)dithiobenzene
CAS No:537-91-7
MF:C12H8N2O4S2
MW:308.332920074463
MDL:MFCD00007246
CID:38139
PubChem ID:10842
Update Time:2025-11-02

1-Nitro-3-(3-nitrophenyl)dithiobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-Bis(3-nitrophenyl)disulfane
    • bis(3-nitrophenyl) disulphide
    • 3,3?Dinitro Diphenyl Disulfide
    • 3,3-Dinitro diphenyl disulfide
    • Nitrophenide
    • 3-Nitrophenyl disulfide
    • Bis(3-nitrophenyl) Disulfide
    • 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene
    • 1-Nitro-3-[(3-nitrophenyl)dithio]benzene
    • 3,3'-Dinitrodiphenyl disulfide
    • 3,3`-Dinitrodiphenyl disulfide
    • 3,3-Dinitrodiphenyl Disulfide
    • Hinagen
    • Disulfide, bis(3-nitrophenyl)
    • Megasul
    • Bis(m-nitrophenyl) disulfide
    • m,m'-Dinitrodiphenyl disulfide
    • Disulfide, bis(m-nitrophenyl)
    • MLS002608369
    • 4OJ0BVA4VQ
    • 3,3'-Dinitro diphenyl disulfide
    • ODOFDWDUSSFUMN-UHFFFAOYSA-N
    • NSC66160
    • NSC42172
    • NSC655043
    • SMR001527118
    • di3-nitro
    • NSC-655043
    • 537-91-7
    • Q27260292
    • BDBM81213
    • SR-01000872609-2
    • NSC-42172
    • 1-Nitro-3-[(3-nitrophenyl)disulfanyl]benzene #
    • NSC-66160
    • D78361
    • SCHEMBL288227
    • DTXSID1060219
    • ODOFDWDUSSFUMN-UHFFFAOYSA-
    • A829773
    • Z56899184
    • EINECS 208-677-6
    • W-105709
    • 3,3`-Dinitrodiphenyl disulfide Bis(3-nitrophenyl)disulfide
    • bis-(3-nitrophenyl)-disulfide
    • bis-(3-nitrophenyl) disulfide
    • NSC 42172
    • MFCD00007246
    • cid_10842
    • AMY21925
    • bis-(3-nitrophenyl)disulfide
    • 3-nitrophenyldisulphide
    • NITROPHENIDE [MI]
    • EN300-17249
    • AC-11157
    • 3-nitrophenyl disulphide
    • Disulfide, bis(diethylthio-carbamoyl)
    • UNII-4OJ0BVA4VQ
    • 1-nitro-3-(3-nitrophenyl)disulfanylbenzene
    • FT-0614085
    • InChI=1/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
    • AKOS001044134
    • HMS3085E07
    • AKOS040744768
    • NSC 655043
    • 3,3'-Dinitrodiphenyl disulphide
    • B2929
    • SR-01000872609
    • Hydroxy(3-((3-(hydroxy(oxido)amino)phenyl)dithio)phenyl)azane oxide
    • NS00032846
    • NSC 66160
    • CHEMBL1721015
    • bis(3-nitrophenyl)disulfide
    • Megasul (VAN)
    • bis(m-nitrophenyl)disulfide
    • CS-W009929
    • HY-W009213
    • 3-Nitrophenyl disulfide; Nitrophenide
    • 1-Nitro-3-(3-nitrophenyl)dithiobenzene
    • MDL: MFCD00007246
    • 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
    • InChI Key: ODOFDWDUSSFUMN-UHFFFAOYSA-N
    • SMILES: S(C1=CC=CC(=C1)[N+](=O)[O-])SC1=CC=CC(=C1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 307.99300
  • Monoisotopic Mass: 307.992548
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.1
  • Topological Polar Surface Area: 142

Experimental Properties

  • Color/Form: solid
  • Density: 1.5285 (rough estimate)
  • Melting Point: 81.0 to 85.0 deg-C
  • Boiling Point: 443.6±30.0 °C at 760 mmHg
  • Flash Point: 222.1±24.6 °C
  • Refractive Index: 1.6510 (estimate)
  • PSA: 142.24000
  • LogP: 5.34880
  • Solubility: dissolve in water
  • Merck: 6618
  • Sensitiveness: Stench
  • FEMA: 3394

1-Nitro-3-(3-nitrophenyl)dithiobenzene Security Information

  • Symbol: GHS09
  • Signal Word:Warning
  • Hazard Statement: H410
  • Warning Statement: P273,P501
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • WGK Germany:3
  • Hazard Category Code: R50/53
  • Safety Instruction: S60-S61
  • RTECS:JO1550000
  • Hazardous Material Identification: N
  • Safety Term:S60;S61
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R50/53
  • Storage Condition:Store at 4°C,-4At ℃Store…Better

1-Nitro-3-(3-nitrophenyl)dithiobenzene Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on 1-Nitro-3-(3-nitrophenyl)dithiobenzene

Comprehensive Analysis of 1-Nitro-3-(3-nitrophenyl)dithiobenzene (CAS No. 537-91-7): Properties, Applications, and Industry Trends

1-Nitro-3-(3-nitrophenyl)dithiobenzene (CAS 537-91-7) is a specialized organic compound gaining attention in advanced material science and synthetic chemistry. This nitro-substituted dithiobenzene derivative exhibits unique electronic properties due to its conjugated aromatic system and nitro functional groups, making it valuable for research in molecular electronics and photoresponsive materials. The compound's distinct electron-withdrawing characteristics have sparked interest among researchers exploring organic semiconductors and charge-transfer complexes.

Recent studies highlight the compound's potential in optoelectronic applications, particularly in the development of non-linear optical materials. Its molecular structure optimization allows for tunable absorption spectra, addressing current industry demands for light-harvesting materials in renewable energy technologies. The 537-91-7 compound demonstrates remarkable stability under various conditions, a critical factor for researchers investigating long-lasting organic electronic devices.

The synthesis of 1-Nitro-3-(3-nitrophenyl)dithiobenzene involves precise aromatic nitration techniques and thioether formation reactions. Advanced purification methods, including column chromatography and recrystallization, ensure high purity levels required for research-grade applications. Analytical characterization typically employs HPLC-MS, NMR spectroscopy, and X-ray crystallography to verify structural integrity and purity.

In material science applications, this compound serves as a building block for conjugated polymer systems and molecular wires. Its redox-active properties make it particularly interesting for developing organic battery materials and electrochemical sensors. Recent patent filings indicate growing commercial interest in derivatives of 537-91-7 for flexible electronics and wearable technology components.

Environmental and safety considerations for handling 1-Nitro-3-(3-nitrophenyl)dithiobenzene follow standard laboratory protocols for nitroaromatic compounds. Proper personal protective equipment (PPE) including chemical-resistant gloves and fume hoods are recommended during experimental procedures. Storage conditions typically involve amber glass containers under inert atmosphere to maintain stability.

The global market for specialized nitroaromatic intermediates like 537-91-7 shows steady growth, driven by demand from advanced material research and organic electronics development. Quality standards for research chemicals have become increasingly stringent, with suppliers now offering ultra-high purity grades (≥99.5%) to meet the needs of cutting-edge applications. Analytical certificates typically include detailed impurity profiles and batch-specific characterization data.

Emerging research directions for 1-Nitro-3-(3-nitrophenyl)dithiobenzene derivatives explore their potential in bioimaging probes and therapeutic agent development. The compound's fluorescence properties when incorporated into specific molecular architectures show promise for cellular imaging applications. Computational chemistry studies using density functional theory (DFT) help predict modifications to enhance desired electronic characteristics.

Technical challenges in working with 537-91-7 include optimizing solubility parameters for various applications and controlling intermolecular interactions in solid-state formulations. Recent advancements in green chemistry approaches aim to develop more sustainable synthesis routes for such functionalized aromatic compounds, reducing environmental impact while maintaining product quality.

For researchers sourcing 1-Nitro-3-(3-nitrophenyl)dithiobenzene, verification of supplier credentials and analytical documentation is essential. The compound's specialized nature requires careful consideration of shipping conditions and storage requirements to ensure material integrity. Many institutions now maintain compound databases with detailed spectroscopic references to facilitate research with such specialized chemicals.

Future prospects for 537-91-7 and related compounds appear promising as nanotechnology and organic electronics continue to advance. The compound's versatility as a molecular scaffold positions it as valuable for developing next-generation smart materials with tailored electronic properties. Ongoing research continues to uncover new applications for this nitro-functionalized dithiobenzene derivative across multiple scientific disciplines.

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