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Cas Database |
| Name |
3-Carboxy-4-nitrophenyl disulfide |
EINECS | 200-714-4 |
| CAS No. | 69-78-3 | Density | 1.787 g/cm3 |
| PSA | 216.84000 | LogP | 4.74520 |
| Solubility | Soluble in water and ethanol. | Melting Point |
240-245 °C (dec.)(lit.) |
| Formula | C14H8N2O8S2 | Boiling Point | 671.863 °C at 760 mmHg |
| Molecular Weight | 396.358 | Flash Point | 360.13 °C |
| Transport Information | N/A | Appearance | Yellow solid. |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2,2'-Dinitro-5,5'-dithiodibenzoicacid;3,3'-Dithiobis(6-nitrobenzoic acid);5,5'-Dithiobis[2-nitrobenzoic acid];Ba 2767;Dithionitrobenzoic acid;DTNB; |
Article Data | 21 |
3-Carboxy-4-nitrophenyl disulfide Synthetic route
| Conditions | Yield |
|---|---|
| With sodium sulfide In water at 50℃; for 2h; pH=> 3.5; | 72.3% |
| Conditions | Yield |
|---|---|
| With sodium sulfide; sodium hydroxide anschliessendes Behandeln mit Jod und KI; |
- 75-91-2
tert.-butylhydroperoxide
- 15139-21-6
5-thio-2-nitrobenzoic acid
A
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
B
- 75-65-0
tert-butyl alcohol
| Conditions | Yield |
|---|---|
| With ethylenediaminetetraacetic acid; MES buffer; selenosubtilisin (ESeSAr form) at 25℃; Rate constant; pH 5.5; other seleno- reagent, (Km)t-BuOOH; |
- 15139-21-6
5-thio-2-nitrobenzoic acid
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
| Conditions | Yield |
|---|---|
| With potassium hydroxide; dihydrogen peroxide In water | |
| With dithionite(2-); cetyltrimethylammonim bromide In water Equilibrium constant; | |
| With NaOH buffer; 1-phenylethyl hydroperoxide; seleno-subtilisin Carlsberg; citric acid at 20℃; pH=5.5; Enzyme kinetics; Oxidation; |
- 77874-90-9
3-carboxylate-4-nitrothiophenoxide ion
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
| Conditions | Yield |
|---|---|
| With 1-oxido-1,2-benziodoxol-3(1H)-one In water at 25℃; Kinetics; Rate constant; Mechanism; pH=8, μ=00.1(KCl), the reagent and the title compound were microencapsulated in vesicles of dioctadecyldimethylammonium chloride; |
- 80-15-9
Cumene hydroperoxide
- 15139-21-6
5-thio-2-nitrobenzoic acid
A
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
B
- 617-94-7
1-methyl-1-phenylethyl alcohol
| Conditions | Yield |
|---|---|
| Stage #1: 5-thio-2-nitrobenzoic acid With supramolecular artificial glutathione peroxidase (SGPxmax) In aq. phosphate buffer at 36℃; for 0.05h; pH=7; Enzymatic reaction; Stage #2: Cumene hydroperoxide In aq. phosphate buffer Kinetics; Catalytic behavior; Reagent/catalyst; | |
| With C17H28O3Te In aq. phosphate buffer; ethanol at 25℃; pH=7; Kinetics; Solvent; |
A
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
B
- 1204351-95-0
bis(11-hydroxyundecyl) diselenide
| Conditions | Yield |
|---|---|
| Irradiation; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid; sulfuric acid / 2 h / 45 - 55 °C 2: potassium permanganate / water / 50 °C 3: sodium sulfide / water / 2 h / 50 °C / pH > 3.5 View Scheme |
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
| Conditions | Yield |
|---|---|
| Stage #1: MGSSHHHHHHSSGLVPRGSASQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGR TLSDYNIQKESTLHLVLRLRGC disulfide With D,L-dithiothreitol In aq. phosphate buffer at 37℃; for 0.333333h; pH=7.4; Stage #2: 5,5'-dithiobis-(2-nitrobenzoic acid) In aq. phosphate buffer at 20℃; for 0.0333333h; pH=7.4; | 100% |
- 69-78-3
5,5'-dithiobis-(2-nitrobenzoic acid)
- 15139-21-6
5-thio-2-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol; water at 0 - 20℃; | 97% |
| With dithionite(2-); cetyltrimethylammonim bromide In water Kinetics; Equilibrium constant; further reagents, catalysts; | |
| With 2-(N,N-dimethylamino)ethanol; 2-mercaptoethylamine hydrochloride In water at 25℃; for 1h; Yield given; |
3-Carboxy-4-nitrophenyl disulfide Chemical Properties
Product Name: Dithionitrobenzoic acid (CAS NO.69-78-3)
MF: C14H8N2O8S2
MW: 396.35
IUPAC: 5-(3-carboxy-4-nitrophenyl)disulfanyl-2-nitrobenzoic acid
EINECS: 200-714-4
Melting point: 240-245 °C (dec.)(lit.)
Solubility in water: Soluble
storage temp.: Store at RT.
Appearance: Yellow solid.
Categories: Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
Stability: Stable under normal temperatures and pressures.
Incompatibilities: Strong oxidizing agents.
Decomposition: Nitrogen oxides, carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Synonyms: 3-Carboxy-4-nitrophenyl disulfide; 2,2'-Dinitro-5,5'-dithiodibenzoic acid; 3,3'-Dithiobis(6-nitrobenzoic acid); 5-(3-Carboxy-4-nitrophenyl)disulfanyl-2-nitrobenzoic acid; DTNB
3-Carboxy-4-nitrophenyl disulfide Uses
Dithionitrobenzoic acid (CAS NO.69-78-3) is used as sensitive reagents to determination sulfhydryl group in protein and polypeptide. Dithionitrobenzoic acid is also used for the monitoring of organophosphorus pesticide poisoning(Cholinesterase determination).
3-Carboxy-4-nitrophenyl disulfide Toxicity Data With Reference
| 1. | ipr-mus LD50:2080 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),284. |
3-Carboxy-4-nitrophenyl disulfide Consensus Reports
Reported in EPA TSCA Inventory.
3-Carboxy-4-nitrophenyl disulfide Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Hazard Codes: 
Xi
Risk Statements: 36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
F: 10: Keep under argon.
HS Code: 29309070
3-Carboxy-4-nitrophenyl disulfide Specification
1. First Aid Measures:
Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation: Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin: Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
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