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51308-56-6

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Basic Information
CAS No.: 51308-56-6
Name: (4-(1,1-Dimethylethyl)phenyl)methyl1-methylpropyl3-pyridinylcarbonimidodithioate
Molecular Structure:
Molecular Structure of 51308-56-6 ((4-(1,1-Dimethylethyl)phenyl)methyl1-methylpropyl3-pyridinylcarbonimidodithioate)
Formula: C21H28 N2 S2
Molecular Weight: 372.599
Synonyms: sec-ButylS-(p-tert-butylbenzyl) N-(3-pyridyl)imidodithiocarbonate
Density: 1.05g/cm3
Boiling Point: 497.5°C at 760 mmHg
Flash Point: 254.7°C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 75.85000
LogP: 6.83170
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  • (4-(1,1-DIMETHYLETHYL)PHENYL)METHYL1-METHYLPROPYLPYRIDIN-3-YLCARBONIMIDODITHIOATE

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    51308-56-6

    (4-(1,1-DIMETHYLETHYL)PHENYL)METHYL1-METHYLPROPYLPYRIDIN-3-YLCARBONIMIDODITHIOATE

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    (4-(1,1-DIMETHYLETHYL)PHENYL)METHYL1-METHYLPROPYLPYRIDIN-3-YLCARBONIMIDODITHIOATEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

IUPAC Name: 1-Butan-2-ylsulfanyl-1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine 
Following is the structure of 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester (CAS NO.51308-56-6):
                       
Empirical Formula: C21H28N2S2
Molecular Weight: 372.5904 g/mol
Surface Tension: 37.1 dyne/cm
Density: 1.05 g/cm3
Flash Point: 254.7 °C
Enthalpy of Vaporization: 73.64 kJ/mol
Boiling Point: 497.5 °C at 760 mmHg
Vapour Pressure: 1.51E-09 mmHg at 25 °C
Index of Refraction of 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester (CAS NO.51308-56-6): 1.568
Canonical SMILES: CCC(C)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C21H28N2S2/c1-6-16(2)25-20(23-19-8-7-13-22-14-19)24-15-17-9-11-18(12-10-17)21(3,4)5/h7-14,16H,6,15H2,1-5H3
InChIKey: UBIRNXRYZPKVRA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:>1 g/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 .

Safety Profile

 Moderately is toxic by ingestion. When heated to decomposition, 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester (CAS NO.51308-56-6) emits toxic vapors of NOx and SOx.

Specification

 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester , its cas register number is 51308-56-6. It also can be called Carbonimidodithioic acid, 3-pyridinyl-, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester . Its classification code are Agricultural Chemical and Fungicide, bactericide, wood preservative .