ChemicalBook--->CAS DataBase List--->79-40-3

79-40-3

79-40-3 Structure

79-40-3 Structure
IdentificationMore
[Name]

Dithiooxamide
[CAS]

79-40-3
[Synonyms]

DITHIOOXALAMIDE
DITHIOOXALIC DIAMIDE
DITHIOOXAMIDE
ETHANEDITHIOAMIDE
RUBEANE
RUBEAN-HYDROGEN
RUBEANIC ACID
dithiono-oxalicacidiamide
dithio-oxaldiimidicaci
dithio-oxamid
Dithioxamide
Hydrogen rubeanide
Hydrorubeanic acid
hydrorubeanicacid
Oxaldiimidic acid, dithio-
Oxamide, dithio-
oxamide,dithio-
Rubean
RubeznicacidEthanedithioamide
RVK
[EINECS(EC#)]

201-203-9
[Molecular Formula]

C2H4N2S2
[MDL Number]

MFCD00004941
[Molecular Weight]

120.2
[MOL File]

79-40-3.mol
Chemical PropertiesBack Directory
[Appearance]

orange to brown crystalline powder
[Melting point ]

≥300 °C(lit.)
[Boiling point ]

287.76°C (estimate)
[bulk density]

650kg/m3
[density ]

1.353 (estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

ethanol: soluble40mg/10 mL, clear, red
[form ]

solid
[pka]

pK1:10.89 (25°C)
[color ]

Orange to Amber to Dark red
[Stability:]

Stable.
[Water Solubility ]

Soluble in alcohols. Slightly soluble in water. Insoluble in ether
[Merck ]

8279
[BRN ]

605577
[InChI]

1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
[InChIKey]

OAEGRYMCJYIXQT-UHFFFAOYSA-N
[SMILES]

NC(=S)C(N)=S
[CAS DataBase Reference]

79-40-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanedithioamide(79-40-3)
[EPA Substance Registry System]

79-40-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

RP1575000
[TSCA ]

Yes
[HS Code ]

29309070
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Safety Profile]

Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx
[Hazardous Substances Data]

79-40-3(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 500 mg/kg
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Dithiolan-2-imine-->N,N'-Didodecyl dithiooxamide-->Benzoic acid, 4,4'-thiazolo[5,4-d]thiazole-2,5-diylbis-, diethyl ester (9CI)-->AIDS124730-->2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imdazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethanedithioamide(79-40-3).msds
Hazard InformationBack Directory
[Chemical Properties]

orange to brown crystalline powder
[Uses]

As a reagent for copper, cobalt, and nickel. As a stabilizer of ascorbic acid solutions: Smoczkiewicz, Grochmalicka, Nature 192, 16 (1961).
[Uses]

Dithiooxamide acts as a chelating agent and used in the determination of copper(II), nickel(II) and cobalt(II). It is used as a building block in the synthesis of cyclen. It is involved in the preparation of thiazolothiazole-linked porous organic polymers and N,N'-disubstituted dithiooxamides. It is also employed as a modifier to prepare the modified glassy carbon electrode which is used to investigate the electrochemical properties of quercetin, an important flavonoid derivative. Further, it is involved in the preparation of chelating resin with formaldehyde, which finds application in separation and concentration of silver ions.
[Uses]

Rubeanic acid may be used for the quantitative precipitation of copper, nickel and cobalt. The copper complex is dark green, the cobalt brownish-red and the nickel violet. All these complexes are chelates of outstanding stability, and this, together with their vivid Colours, affords the reaction great analytical sensitivity.
The copper complex is the most stable of the three; it can be precipitated even from mild mineral acidic solution, while precipitation of the corresponding cobalt and nickel complexes requires buffered media. On the other hand, palladium, platinum and silver react with rubeanic acid to give precipitates in strongly acidic solution. It should be mentioned, however, that in the case of platinum and some other metals (zinc, cadmium, silver, lead, mercury) the product is the corresponding sulfide rather than the rubeanate complex.
Rubeanic acid reacts with ruthenium to give a blue water-soluble complex ion, which is utilized for the spectrophotometric determination of ruthenium. Rubeanic acid has similarly been used for the spectrophotometric determination of osmium.
It has also proved suitable for the solvent extraction separation and determination of thallium. It has been found that thallium exists in the organic phase in the form of a complex of composition Tl/dto/Hdto, where dto represents the rubeanate anion with one negative charge.
[General Description]

Dithiooxamide is reported to form complexes with Ni(II).
[Synthesis]

Add concentrated ammonia to the concentrated copper sulfate solution while stirring until the precipitated copper hydroxide is redissolved. After cooling, a solution of potassium cyanide is added slowly with constant stirring until the blue color disappea
[Purification Methods]

Crystallise dithiooxamide from EtOH and sublime it at high vacuum. [Beilstein 2 IV 1871.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dithiooxamide(79-40-3)MS
Dithiooxamide(79-40-3)1HNMR
Dithiooxamide(79-40-3)13CNMR
Dithiooxamide(79-40-3)IR1
Dithiooxamide(79-40-3)IR2
Dithiooxamide(79-40-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Dithiooxamide, 98%(79-40-3)
[Sigma Aldrich]

79-40-3(sigmaaldrich)
[TCI AMERICA]

Rubeanic Acid,>99.0%(T)(79-40-3)
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