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Zinc dibenzyldithiocarbamate

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Name

Zinc dibenzyldithiocarbamate

EINECS 238-778-0
CAS No. 14726-36-4 Density ==
PSA 121.26000 LogP 8.33990
Solubility 2.3μg/L at 20℃ Melting Point 183-188 °C
Formula C30H28N2S4Zn Boiling Point 408.3 °C at 760 mmHg
Molecular Weight 610.22 Flash Point 200.8 °C
Transport Information N/A Appearance white to off-white powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14726-36-4 (Zinc dibenzyldithiocarbamate) Hazard Symbols N/A
Synonyms

Zinc,bis(dibenzyldithiocarbamato)- (7CI,8CI);Zinc,bis[bis(phenylmethyl)carbamodithioato-kS,kS']-, (T-4)- (9CI);(N,N-Dibenzyldithiocarbamato)zinc;Arazate;Bis(dibenzyldithiocarbamato)zinc;Nocceler ZTC;Rhenogran ZBEC70;Vulkacit ZBEC;ZBEC;

Article Data 5

Zinc dibenzyldithiocarbamate Synthetic route

75-15-0

carbon disulfide

zinc(II) oxide

103-49-1

dibenzylamine

14726-36-4

zinc dibenzyl dithiocarbamate

Conditions
ConditionsYield
With RP-98; FMES In water for 6h; Reagent/catalyst; Reflux; Large scale;99.8%
75-15-0

carbon disulfide

zinc(II) oxide

103-49-1

dibenzylamine

14726-36-4

zinc dibenzyl dithiocarbamate

Conditions
ConditionsYield
In 5,5-dimethyl-1,3-cyclohexadiene at 25℃; for 6h; Temperature;98.1%
14726-36-4

zinc dibenzyl dithiocarbamate

142-71-2

copper diacetate

34409-33-1

bis(N,N-dibenzyldithiocarbamato-S,S′)copper(II)

Conditions
ConditionsYield
With ammonium hydroxide In dichloromethane; water at 20℃; for 1h;92%
14726-36-4

zinc dibenzyl dithiocarbamate

10026-12-7

niobium pentachloride

324748-47-2

NbCl(OCH3)2((C6H5CH2)2NCS2)2

Conditions
ConditionsYield
In methanol reaction at ambient temperature for 24 to 26 hours;; recrystallization from CCl4, drying in vacuum;;
14726-36-4

zinc dibenzyl dithiocarbamate

13478-45-0

niobium pentabromide

NbBr(OCH3)2((C6H5CH2)2NCS2)2

Conditions
ConditionsYield
In methanol reaction at ambient temperature for 24 to 26 hours;; recrystallization from CCl4, drying in vacuum;;

Zinc dibenzyldithiocarbamate Specification

The Zinc dibenzyldithiocarbamate , with cas registry number of 14726-36-4, also has other registry numbers including 137427-50-0, 138-54-5, 56803-46-4. It has other synonyms like Dibenzyldithiocarbamic acid zinc salt ; Zinc bis(N,N-dibenzyldithiocarbamate) . Its IUPAC name is called zinc N,N-dibenzylcarbamodithioate . The systematic name is named as zinc bis(dibenzylcarbamodithioate) . It belongs to the categories of (1)Organometallics; (2)Classes of Metal Compounds; (3)Transition Metal Compounds; (4)Zn (Zinc) Compounds.

Physical properties of Zinc dibenzyldithiocarbamate are: (1) ACD/LogP: 4.25 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 1.55 ; (4) ACD/LogD (pH 7.4): 0.55 ; (5) ACD/BCF (pH 5.5): 2 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 9.78 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 1 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Enthalpy of Vaporization: 66.03 kJ/mol ; (13) Vapour Pressure: 7.06E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Zinc dibenzyldithiocarbamate irritates to eyes, respiratory system and skin. During use it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES:[Zn+2].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2 ;
(2)InChI:InChI=1/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2 ;
(3)InChIKey:AUMBZPPBWALQRO-NUQVWONBAQ

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