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CAS No.: | 14634-93-6 |
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Name: | Zinc ethylphenyl dithiocarbamate |
Molecular Structure: | |
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Formula: | C18H20N2S4Zn |
Molecular Weight: | 458.01 |
Synonyms: | Zinc,bis(N-ethyldithiocarbanilato)- (7CI,8CI);Zinc,bis(ethylphenylcarbamodithioato-kS,kS')-, (T-4)- (9CI);Carbamodithioic acid, ethylphenyl-, zinc salt;Hermat FEDK;Vulkacit II extra N;Zinc bis(N-ethyl-N-phenyldithiocarbamate); |
EINECS: | 238-677-1 |
Density: | 1.50 g/cm3 |
Melting Point: | 206-208 °C |
Boiling Point: | 269.9 °C at 760 mmHg |
Flash Point: | 117 °C |
Solubility: | 70μg/L at 20℃ |
Appearance: | white or light yellow power |
Safety: | 22-24/25 |
PSA: | 121.26000 |
LogP: | 5.98810 |
Conditions | Yield |
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In chloroform hot CHCl3 soln. of 2,2'-bipyridine added to hot CHCl3 soln. of Zn-complex, refluxed for 20 min; concd., filtered, 48 h, filtered, dried over CaCl2; elem. anal.; | 85% |
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The Zinc ethylphenylthiocarbamate , with cas registry number of 14634-93-6, is also Zinc ethylphenyl dithiocarbamate ; N-Ethyl-N-phenyldithiocarbamic acid zinc salt ; Zinc bis(N-ethyl-N-phenyldithiocarbamate) . Its IUPAC name is zinc N-ethyl-N-phenylcarbamodithioate . And the systematic name is called zinc bis[ethyl(phenyl)carbamodithioate] . Zinc ethylphenyldithiocarbamate is the superlist name of this compound. It belongs to the categories of (1)Classes of Metal Compounds; (2)Transition Metal Compounds; (3)Zn (Zinc) Compounds. Zinc ethylphenylthiocarbamate often appears white or light yellow. It is soluble in hot chloroform and hot benzene , insoluble in acetone , carbon tetrachloride , ethanol and gasoline , slightly soluble in water , benzene, hot ethanol .
Physical properties of Zinc ethylphenylthiocarbamate : (1) ACD/LogP: 3.03 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.92 ; (4) ACD/LogD (pH 7.4): -0.53 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 8.15 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 1 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 2 ; (12) Enthalpy of Vaporization: 50.8 kJ/mol ; (13) Vapour Pressure: 0.00707 mmHg at 25°C.
Uses of Zinc ethylphenylthiocarbamate : It is a fast primary or secondary rubber accelerator. It is also used as an antioxidant in rubber-based adhesive systems.
When you are using this chemical, please be cautious about it as the following:
Though Zinc ethylphenylthiocarbamate is odourless and tasteless, non-toxic, during using it, avoid contact with skin and eyes. And do not breathe dust. When heated to decomposition, it emits very toxic fumes of NOx, ZnO, and SOx.
You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[S-]C(=S)N(c1ccccc1)CC.[S-]C(=S)N(c1ccccc1);
(2)InChI:InChI=1/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2;
(3)InChIKey:KMNUDJAXRXUZQS-NUQVWONBAY
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 533mg/kg (533mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. | |
mouse | LD50 | oral | 17500mg/kg (17500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: FOOD INTAKE (ANIMAL) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 28, 1971. |
rat | LD50 | oral | 7200mg/kg (7200mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 28, 1971. |