-
Name
(4-(1,1-Dimethylethyl)phenyl)methyl1-methylpropyl3-pyridinylcarbonimidodithioate
- EINECS
- CAS No. 51308-56-6
- Density 1.05g/cm3
- Solubility
- Melting Point
- Formula C21H28 N2 S2
- Boiling Point 497.5°C at 760 mmHg
- Molecular Weight 372.599
- Flash Point 254.7°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols Moderately toxic by ingestion.
- Synonyms sec-ButylS-(p-tert-butylbenzyl) N-(3-pyridyl)imidodithiocarbonate
- PSA 75.85000
- LogP 6.83170
3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester Chemical Properties
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
3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester 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 . |
3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester 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.
3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl1-methylpropyl ester 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 .
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