structure of Bis(4-nitrophenyl) disulfide

Bis(4-nitrophenyl) disulfide

CAS No.: 100-32-3
M. Wt: 308.333
M. Fa: C12H8N2O4S2
InChI Key: KWGZRLZJBLEVFZ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of Bis(4-nitrophenyl) disulfide

CAS Number

100-32-3

EC Number

202-840-5

MDL Number

MFCD00003573

IUPAC Name

1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene

InChI

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

InChIKey

KWGZRLZJBLEVFZ-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-]

UNII

F16G70DEUU

UNSPSC Code

12352100

Physical and chemical properties of Bis(4-nitrophenyl) disulfide

Boiling Point

478.8±30.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

307.992554

Flash Point

243.4±24.6 °C

Index of Refraction

1.718

LogP

4.59

Melting Point

141 °C

Molecular Formula

C12H8N2O4S2

Molecular Weight

308.333

PSA

142.24000

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of Bis(4-nitrophenyl) disulfide

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Bis(4-nitrophenyl) disulfide

Bis(4-nitrophenyl) disulfide finds applications across various fields:

  • Chemical Reagent: It serves as a versatile reagent in organic synthesis, particularly in the formation of other sulfur-containing compounds.
  • Antimicrobial Agent: Its biological properties make it a candidate for developing new antimicrobial agents.
  • Research Tool: Used in studies related to redox reactions and thiol chemistry, it helps elucidate mechanisms involving sulfur compounds.

Interaction Studies of Bis(4-nitrophenyl) disulfide

Studies on bis(4-nitrophenyl) disulfide have focused on its interactions with biological molecules, particularly proteins and enzymes containing thiol groups. These interactions can lead to modifications that affect protein function, making it a useful tool in biochemical research. Investigations into its binding affinities and reaction kinetics provide insights into its potential therapeutic applications.

Biological Activity of Bis(4-nitrophenyl) disulfide

Research indicates that bis(4-nitrophenyl) disulfide exhibits biological activity, particularly in the realm of antimicrobial and anticancer properties. Its ability to generate reactive oxygen species may contribute to its cytotoxic effects against various cancer cell lines. Moreover, its interactions with thiol-containing biomolecules suggest potential applications in redox biology and therapeutic development.

Physical sample testing spectrum (NMR) of Bis(4-nitrophenyl) disulfide

Physical sample testing spectrum (NMR) of Bis(4-nitrophenyl) disulfide

Retrosynthesis analysis of Bis(4-nitrophenyl) disulfide

  • Route#1

    Cas:20057-76-5
    Cas:100-32-3
  • Route#2

    Cas:40897-58-3
    Cas:100-32-3
  • Route#3

    Cas:1223-31-0
    Cas:100-32-3