Diethylammonium diethyldithiocarbamate
Basic information
- CAS
1518-58-7- Standard SMILES
CCN(CC)C(=S)S.CCNCC- InChIKey
NBGTWXBPCIHUQD-UHFFFAOYSA-N- Molecular formula
- C5H11NS2.C4H11N
- Average molar mass
- 222.4 g/mol
- Monoisotopic mass
- 222.12244106
Names & identifiers
- Preferred name
- Diethylammonium diethyldithiocarbamate
- IUPAC
- diethylcarbamodithioic acid;N-ethylethanamine
- English name
- Diethylammonium diethyldithiocarbamate
- Molecular formula
- C9H22N2S2
- Molecular weight
- 222.41
Names & synonyms
1518-58-7DTXSID0061749RefChem:133477DTXCID2034916216-175-3Diethylammonium diethyldithiocarbamateContramineDiethylammonium N,N-diethyldithiocarbamateN,N-Diethyldithiocarbamic acid diethylamine saltDiethyldithiocarbamic acid diethylammonium saltUSAF EK-2635diethylcarbamodithioic acid;N-ethylethanamine
Show more names
usafek-2635diethylaminesaltDiethylammoniumdiethyldithiocDiethylaMine DiethyldithiocarbaMateDIETHYLDITHIONE DIETHYLAMMONIUM SALTDiethylamine DiethylcarbamodithioateDiethylammoniumdiethyldithocar-bamate
MFCD00013146NSC6248C9H22N2S2Diethylamine Diethyldithiocarbamate; N-Ethylethanamine Diethylcarbamodithioate; Contramine; N,N-Diethyldithiocarbamic Acid Diethylamine Salt; NSC 6248; DCC,NSC 6248EINECS 216-175-3Diaethylammonium-diaethyldithiocarbamat [German]Carbamic acid, diethyldithio-, diethylamine salt
Database identifiers
- CAS
1518-58-7- PubChem CID
- 15201
- DTXSID
DTXSID0061749- EC Number
- 216-175-3
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 89.6
Physicochemical properties
- Melting point
- 82 · 82-84 °C(lit.)
- Boiling point
- 125 °C · 125 °C
- Density
- 1.049 · 1.0490 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Refrigerator
- solubility
- Soluble in Chloroform, Methanol.
- form
- Solid
- color
- White to Off-White
- Water Solubility
- almost transparency
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
- InChIKey
- NBGTWXBPCIHUQD-UHFFFAOYSA-N
- SMILES
- N(CC)(CC)C(=S)S.N(CC)CC
- CAS DataBase Reference
- 1518 · 1518-58-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Diethylammonium diethyldithiocarbamate (1518-58-7)
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 1.6% (1 of 62) of reports.
Warning
H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Carbamodithioic acid, diethyl-, compound with N-ethylethanamine (1:1)
Carbamodithioic acid, diethyl-, compd. with N-ethylethanamine (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EZ5425000
- hs_code
- 2930.20.9050
- Toxicity
- mouse,LD50,intraperitoneal,500mg/kg (500mg/kg),National Technical Information Service. Vol. AD277-689,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamodithioic acid, N,N-diethyl-, compd. with N-ethylethanamine (1:1): ACTIVE
Applications
UsesIn water-chloroform mixtures the reagent is found quantitatively in the aqueous phase at pH > 8, while it remains quantitatively in the organic phase at pH The reagent reacts with essentially the same metal ions as does the sodium salt of diethyldithiocarbamate. However, it possesses the advantageous feature that some metal ions can be extracted with it from more acidic solutions, which in some cases may result in an increase of analytical selectivity. The analytical applicability of several substituted dithiocarbamates has also been examined. Hulanicki demonstrated the effects of various substituents in the reagent upon the properties of the corresponding complexes. In the main the majority of analytical problems can be solved equally well with diethyldithiocarbamate itself. Substitution of the reagent enhances the efficiency of the ligand in some special cases only.
UsesDiethylammonium diethyldithiocarbamate is used in the synthesis of Dithiocarbamate. It serve as hosts for the specific binding of various metal cations.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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