Basic information
- CAS
144-34-3- Standard SMILES
CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C- InChIKey
HXKCUQDTMDYZJD-UHFFFAOYSA-N- Molecular formula
- C12H24N4S8Se
- Average molar mass
- 559.9 g/mol
- Monoisotopic mass
- 559.89319
Overview
Methyl selenac is a thiocarbonyl compound.
Names & identifiers
- Preferred name
- Selenium dimethyldithiocarbamate
- IUPAC
- [tris(dimethylcarbamothioylsulfanyl)-λ4-selanyl] N,N-dimethylcarbamodithioate
- English name
- Selenium dimethyldithiocarbamate
- Molecular formula
- C12H24N4S8Se
- Molecular weight
- 559.83
Names & synonyms
Methyl selenacSELENIUM DIMETHYLDITHIOCARBAMATE144-34-3Selenium tetrakis(dimethyldithiocarbamate)HSDB 2929Selenium, tetrakis(dimethyldithiocarbamato)-EINECS 205-624-910C3RYF6QGTetrakis(dimethylcarbamodithioato-S,S')seleniumTatrakis(dimethyl carbamodithioato-S,S')seleniumSelenium, tetrakis(dimethylcarbamodithioato-S)-, (T-4)-Carbamodithioic acid, dimethyl-, tetraanhydrosulfide with orthothioselenious acid
Show more names
t-4)-seleniutetrakis(dimethyldithiocarbamato)-seleniutetrakis(dimethylcarbamodithioato-s,s’)seleniumtatrakis(dimethylcarbamodithioato-s,s’)seleniumTetrakis(N,N-dimethyldithiocarbamic acid)selenium(IV) saltdimethyl-carbamodithioicacitetraanhydrosulfidewithorthothioseleniousac
METHYL SELENAC [IARC]Carbamodithioic acid, N,N-dimethyl-, tetraanhydrosulfide with orthothioselenious acidDTXSID9021263Tetrakis(dimethyldithiocarbamato)-seleniumSELENIUM DIMETHYLDITHIOCARBAMATE [HSDB]METHYL SELENAC (IARC)N,N-dimethyl({tris[(dimethylcarbamothioyl)sulfanyl]-lambda4-selanyl}sulfanyl)carbothioamideN,N-dimethyl((tris((dimethylcarbamothioyl)sulfanyl)-lambda4-selanyl)sulfanyl)carbothioamide
Properties
Computed structural properties
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Dithiocarbamates (Rubber)
Density1.58
Color/FormYELLOW POWDER OR CRYSTALS
SolubilitySLIGHTLY SOL IN CARBON DISULFIDE, BENZENE, CHLOROFORM; INSOL IN WATER, DILUTE CAUSTIC, GASOLINE
DecompositionWhen heated to decomp ... emits very toxic fumes of /selenium, sulfur oxides, and nitrogen oxides/.
Melting Point140-172 °C
Physical DescriptionYellow solid; [HSDB] Yellow powder; [MSDSonline]
Physicochemical properties
- Melting point
- 140 · 140-172°C
- Density
- 1 · 1,58 g/cm3
- pka
- 0.78 · 0.78±0.50(Predicted)
- form
- solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards Summary
Contains selenium, which is toxic; [Sax] May cause irritation; Inhalation of dust and ingestion may be harmful; [MSDSonline] As indicated by its synonym, selenium dimethyldithiocarbamate, methyl selenac is related to the dithiocarbamate fungicides. Several of the dialkyldithiocarbamates are known skin sensitizers; See Carba mix. See Maneb. See Selenium.
Special Reports
Toxicology Review: Clinical Toxicology 5 (2): 175 (1972)
WHO; Evaluation of The Available Toxicity Data On Selenium (1987). Properties and analysis; sources, levels and transport in the environment; human exposure; metabolism; animal studies; effects on man; evaluation of the health risks; quantitative assessment of exposure.
NTIS; Govt Reports Announcements & Index (GRA&I), Issue 14 (1987). This bibliography contains citations concerning the toxicity, carcinogenicity, environmental pollution, and other hazards and adverse effects of selenium. The detection, characterization, analytical methods, and removal from the environment are discussed. Pollution from coal fired and geothermal power plants are considered. (This updated bibliography contains 349 citations, none of which are new entries to the previous edition.)
Najael; Revue g'en'erale de s'ecurite - RGS 63: 65-72 (1987). Information note on the harmful effects of selenium compounds. Physical and chemical properties of selenium and its principal compounds; uses; pathology and toxicology (irritation of the skin and mucous membranes; these irritations are compensable under French law); radioactive selenium; fire hazards; French regulations; protection.
For more Special Reports (Complete) data for SELENIUM DIMETHYLDITHIOCARBAMATE (10 total), please visit the HSDB record page.
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (L619)
Uses & manufacturing
Uses
Used as a vulcanization accelerator; [HSDB]
Vulcanization accelerator
Selenium rarely occurs in its elemental state in nature and is usually found in sulfide ores such as pyrite, partially replacing the sulfur in the ore matrix. It may also be found in silver, copper, lead, and nickel minerals.
U.S. Production
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption PatternsESSENTIALLY 100% AS ACCELERATOR FOR RUBBER VULCANIZATION
Methods of Manufacturing
REACTION OF DIMETHYLAMINE, CARBON DISULFIDE AND SELENIUM DIOXIDE IN AN ALCOHOLIC SOLUTION.
...PREPN OF WATER-INSOLUBLE DIALKYLDITHIOCARBAMATE METAL SALTS IS PPTN OF METAL SALT FROM AQ PREPN OF SODIUM DIALKYLDITHIOCARBAMATE.
Formulations/PreparationsTECHNICAL PRODUCT: ...PARTICLE SIZE, 99.9% PASSES THROUGH A 100-MESH SCREEN; SELENIUM CONTENT, 13-15%; MOISTURE, 1% MAX; ASH, 0.75% MAX. ...ALSO AVAILABLE FOR RUBBER PROCESSING IN DISPERSION CONTAINING 30% ETHYLENE-PROPYLENE RUBBER BINDER.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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