3,3'-Disulfanediylbis(6-nitrobenzoic acid)

Basic Information

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CAS Number

69-78-3

Molecular Formula

C14H8N2O8S2

Molecular Weight

396.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

240-245 °C (dec.)

Boiling Point

671.9°C at 760 mmHg

Density

1.67

Water Solubility

Soluble in water and ethanol.

Flash Point

360.1°C

Solubility

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Refractive Index

1.6900 (estimate)

SMILES

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C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)

InChIKey

KIUMMUBSPKGMOY-UHFFFAOYSA-N

LogP

4.74520

Complexity

528

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Sensitiveness

热敏感

Synonyms & References

English

3,3'-Dithiobis(6-nitrobenzoic) acid
5,5'-Dithobis(2-Nitrobenzoic Acid)
InChI=1/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20
3,3'-Dithiobis(6-nitrobenzoic acid)
2,2'-Dinitro-5,5'-dithiodibenzoesaeure [German]
5,5-Dithiobis(2-nitrobenzoicacid)
3,3'-Dithiobis(6-nitrobenzoate)
D0944
LS-37344
Z1723556601
D-8000
5,5'-Disulfanediylbis(2-nitrobenzoic acid)
5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
CHEMBL395814
Dithionitrobenzoic acid
5,5'-dithiobis[2-nitrobenzoic acid]
EN300-153235
3-Carboxy-4-nitrophenyl disulfide
3,3'-dithiobis[6-nitrobenzoe]syre
C14-H8-N2-O8-S2
69-78-3
5,5'-dithio-bis-(2-nitrobenzoic acid)
5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
Ellman Reagent
5-(3-Carboxy-4-nitro-phenyl)disulfanyl-2-nitrobenzoic acid
Ellman inverted exclamation mark s ReagentEllman inverted exclamation mark s Reagent
5, 5'-Dithiobis-(2-nitrobenzoic acid)
5,5'-Dithiobis(2-nitrobenzoic acid), BioReagent, >=98%, suitable for determination of sulfhydryl groups
2,2'-Dinitro-5,5'-dithiodibenzoesaeure
5,5'-Dithio-bis-(2-nitrobenzoic Acid) - CAS 69-78-3
DTXSID5058779

MDL Number

MFCD00007140

Customs Code

29309070

FAQ

What is 3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3)?

3,3'-Disulfanediylbis(6-nitrobenzoic acid), with CAS number 69-78-3, is a chemical compound featuring two 6-nitrobenzoic acid groups connected by a disulfane bridge. Its chemical formula is C14H10N2O4S2. The molecule is characterized by aromatic rings with nitro (NO2) and carboxylic acid (COOH) functional groups, and it is typically a solid at room temperature. It exhibits moderate solubility in polar organic solvents and is known for its stability under standard conditions.

What are the main uses of 3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3)?

3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3) is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds targeting inflammatory or neurological conditions. It also serves as an intermediate in the synthesis of dyes, pesticides, and other organic materials. In analytical chemistry, it is employed for spectroscopic studies due to its distinct functional groups, and in industrial applications, it may be used as a reagent for modifying polymer properties.

Is 3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3) safe?

3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and its vapors could be harmful if inhaled. Safety guidelines recommend using appropriate personal protective equipment (PPE) and working in well-ventilated areas. While not classified as highly hazardous under normal conditions, it should be handled according to OSHA and EPA standards to minimize risks.

How should 3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3) be stored?

3,3'-Disulfanediylbis(6-nitrobenzoic acid) (CAS: 69-78-3) should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. It is best kept in sealed, airtight containers made of glass or inert plastic to prevent degradation. Avoid exposure to heat or direct sunlight to maintain stability, and ensure storage areas are well-ventilated to reduce vapor accumulation.