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Cas Database |
| Name |
Iron(iii) diethyldithiocarbamate |
EINECS | N/A |
| CAS No. | 13963-59-2 | Density | g/cm3 |
| PSA | 181.89000 | LogP | 5.42930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H30 Fe N3 S6 | Boiling Point | 176.4°Cat760mmHg |
| Molecular Weight | 500.666 | Flash Point | 60.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic. |
| Synonyms |
Iron,tris(diethylcarbamodithioato-S,S')-, (OC-6-11)-; Iron,tris(diethylcarbamodithioato-kS,kS')-, (OC-6-11)- (9CI); Iron,tris(diethyldithiocarbamato)- (7CI,8CI); Iron diethyldithiocarbamate; Irontris(diethyldithiocarbamate); Iron(III) diethyldithiocarbamate; NSC 177698;Tris(N,N-diethyldithiocarbamato)iron; Tris(diethyldithiocarbamato)iron |
Article Data | 4 |
Iron(iii) diethyldithiocarbamate Chemical Properties
Molecule structure of Iron(iii) diethyldithiocarbamate (CAS NO.13963-59-2) :
IUPAC Name: cyclohexylsulfamic acid;4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
Molecular Weight: 423.61248 g/mol
Molecular Formula: C22H37N3O3S
Boiling Point: 176.4 °C at 760 mmHg
Flash Point: 60.5 °C
Enthalpy of Vaporization: 41.27 kJ/mol
Vapour Pressure: 1.1 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 423.255563
MonoIsotopic Mass: 423.255563
Topological Polar Surface Area: 93.4
Heavy Atom Count: 29
Complexity: 494
Canonical SMILES: CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1.C1CCC(CC1)NS(=O)(=O)O
InChI: InChI=1S/C16H24N2.C6H13NO3S/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;8-11(9,10)7-6-4-2-1-3-5-6/h6-10,13-14H,11H2,1-5H3;6-7H,1-5H2,(H,8,9,10)
InChIKey: REVYDCJKWVXJGT-UHFFFAOYSA-N
EINECS: 237-743-7
Product Categories of Iron(iii) diethyldithiocarbamate (CAS NO.13963-59-2) : Classes of Metal Compounds; Fe (Iron) Compounds; Transition Metal Compounds
Iron(iii) diethyldithiocarbamate Toxicity Data With Reference
| 1. | ipr-rat LD :>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),28. |
Iron(iii) diethyldithiocarbamate Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
RTECS: NO8720000
Iron(iii) diethyldithiocarbamate Specification
Iron(iii) diethyldithiocarbamate (CAS NO.13963-59-2) is also called Carbamic acid, diethyldithio-, iron(III) salt ; Iron diethyldithiocarbamate ; Iron tris(diethyldithiocarbamate) ; Iron, tris(diethylcarbamodithioato-S,S')-, (OC-6-11)- ; NSC 177698 ; Tris(diethyldithiocarbamato)iron .
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