Skip to main content

5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid

ADVERTISEMENT
Identification
Molecular formula
C14H8N2O8S2
CAS number
202980-14-1
IUPAC name
5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
State
State

At room temperature, the compound is in a solid state.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
375.00
Boiling point (Kelvin)
648.15
General information
Molecular weight
398.39g/mol
Molar mass
398.3890g/mol
Density
1.5900g/cm3
Appearence

The compound is a pale yellow crystalline solid. It may appear similar to other organic nitro compounds that tend to have a light yellow hue due to the presence of the nitro group.

Comment on solubility

Solubility of 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid

The solubility of the compound 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid (C14H8N2O8S2) is influenced by several factors that are essential to understand:

  • Polar Functional Groups: The presence of carboxylic acid groups (-COOH) and nitro groups (-NO2) can enhance solubility in polar solvents.
  • Disulfide Linkage: The disulfide bond may affect interactions, potentially leading to variable solubility behavior in different solvents.
  • Hydrogen Bonding: This compound can form hydrogen bonds, which generally increases solubility in aqueous environments.
  • pH Sensitivity: The solubility may vary with the pH of the solution, especially given the acidic nature of the carboxylic acid group.

In general, while this compound may exhibit moderate to high solubility in polar solvents like water due to its functional groups, it might face challenges in non-polar solvents. Understanding the exact solubility characteristics often requires empirical data, as quoted: "The solubility of complex organic molecules cannot solely be predicted; empirical measurements are critical."

Overall, the interplay of the polar and non-polar characteristics of the molecule makes the study of its solubility rich and multifaceted.

Interesting facts

Interesting Facts about 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic Acid

The compound 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid is a fascinating molecule that displays a variety of interesting characteristics and potential applications in the field of chemistry.

  • Structural Complexity: This compound features a complex arrangement of functional groups including carboxylic acid, nitro groups, and a disulfide link. The presence of these groups contributes to its unique chemical properties and reactivity.
  • Biological Activity: Compounds with nitro and carboxylic acid groups have been studied for their biological activities, with potential applications in medicinal chemistry, particularly in developing anti-inflammatory and antibacterial agents.
  • Disulfide Link: The disulfide bond in this compound can play a significant role in redox chemistry, potentially allowing the compound to participate in various biochemical pathways and making it an interesting target for the study of oxidative stress.
  • Analytical Chemistry: This compound's structure lends itself well to various analytical techniques, such as chromatography and spectroscopy, useful in identifying reaction pathways and mechanisms.
  • Chemical Synthesis: Its synthesis may involve multi-step organic reactions, providing an excellent educational model for chemistry students studying organic synthesis and complex chemical transformations.

As noted by renowned chemist Linus Pauling, "The structure of a substance can have a significant effect on its properties." In the case of 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid, this statement rings especially true, as its intricate structural features impact both its reactivity and its application potential.

Overall, this compound serves as an excellent example of how molecular design influences functionality in chemical compounds, providing endless opportunities for exploration in the realms of chemistry and biochemistry.

Synonyms
69-78-3
DTNB
5,5'-Dithiobis(2-nitrobenzoic acid)
Ellman's Reagent
3-Carboxy-4-nitrophenyl disulfide
Dithionitrobenzoic acid
Benzoic acid, 3,3'-dithiobis[6-nitro-
5,5'-Disulfanediylbis(2-nitrobenzoic acid)
Dithiobisnitrobenzoic acid
3,3'-Dithiobis(6-nitrobenzoic acid)
Ellmans reagent
5,5'-dithio-bis(2-nitrobenzoic acid)
Ellman Reagent
2,2'-Dinitro-5,5'-dithiodibenzoic acid
2,2'-Dinitro-5,5'-dithiodibenzoesaeure
EINECS 200-714-4
9BZQ3U62JX
MFCD00007140
5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
CHEBI:86228
BENZOIC ACID, 3,3'-DITHIOBIS(6-NITRO-
3,3'-Dithiobis(6-nitrobenzoic) acid
2,2'-Dinitro-5,5'-dithiodibenzoesaeure [German]
5,5'-Dithiobis-(2-nitrobenzoic acid)
Bis(3-carboxy-4-nitrophenyl) disulfide
5,5'-dithio-bis-(2-nitrobenzoic acid)
ELLMAN'S REAGENT [MI]
CHEMBL395814
3,3'-disulfanediylbis(6-nitrobenzoic acid)
DTXSID5058779
3,3'-dithiobis[6-nitrobenzoic] acid
5,5'-dithiobis[2-nitrobenzoic acid]
BA-2767
5-(3-Carboxy-4-nitro-phenyl)disulfanyl-2-nitrobenzoic acid
5,5 pound section sign-Dithio bis-(2-nitrobenzoic acid)
3,3'-Dithiobis[6-nitrobenzoic Acid]
5,5-Dithiobis(2-nitrobenzoic acid)
Reagent, Ellman's
Acid, Dithionitrobenzoic
UNII-9BZQ3U62JX
Ellmans Reagenz
2,2'-Dinitro-5,5'-dithiodibenzoic Acid; 3,3'-Dithiobis(6-nitrobenzoic Acid); 5,5'-Dithiobis[2-nitrobenzoic Acid]; Ba 2767; DTNB; Ellman's Reagent
6,6'-Dinitro-3,3'-dithiodibenzoic acid
Benzoic acid, 3,3'-dithiobis(6-nitro)-
SCHEMBL26775
3Carboxy4nitrophenyl disulfide
DTXCID9046441
GLXC-04202
3,3'Dithiobis(6nitrobenzoic acid)
3,3'Dithiobis(6nitrobenzoic) acid
5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
Bis(3carboxy4nitrophenyl) disulfide
2,2'Dinitro5,5'dithiodibenzoesaeure
BDBM50365395
Benzoic acid, 3,3'dithiobis(6nitro
s2764
STL191445
2,2'Dinitro5,5'dithiodibenzoic acid
6,6'Dinitro3,3'dithiodibenzoic acid
AKOS005266765
FD11353
GS-6886
5, 5'-Dithiobis-(2-nitrobenzoic acid)
AC-37019
HY-15915
SY014933
DB-055346
D0944
NS00015323
EN300-153235
H10309
Q3604488
Z1723556601
5,5'-Dithio-bis-(2-nitrobenzoic Acid) - CAS 69-78-3
5-[(3-Carboxy-4-nitrophenyl)dithio]-2-nitrobenzoic acid
5,5 inverted exclamation mark -Dithiobis(2-nitrobenzoic Acid)
5,5'-Dithiobis(2-nitrobenzoic acid), ReagentPlus(R), 99%
5,5'-Dithiobis(2-nitrobenzoic acid), Vetec(TM) reagent grade, 98%
5,5'-Dithiobis(2-nitrobenzoic acid), BioReagent, >=98%, suitable for determination of sulfhydryl groups
Ellman's reagent;3-Carboxy-4-nitrophenyl disulfide;Bis(3-carboxy-4-nitrophenyl) disulfide;DTNB
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