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Zinc ethylphenyl dithiocarbamate

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Name

Zinc ethylphenyl dithiocarbamate

EINECS 238-677-1
CAS No. 14634-93-6 Density 1.50 g/cm3
Solubility Melting Point 206-208 °C
Formula C18H20N2S4Zn Boiling Point 269.9 °C at 760 mmHg
Molecular Weight 458.01 Flash Point 117 °C
Transport Information Appearance white or light yellow power
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 14634-93-6 (Zinc,bis(N-ethyl-N-phenylcarbamodithioato-kS,kS')-, (T-4)-) Hazard Symbols
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);

 

Consensus Reports

Zinc and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Specification

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
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.

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