- 4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate
- 4-tert-Butylbenzyl alcohol
- 4-tert-Butylbenzyl bromide
- 4-tert-Butylbenzyl chloride
- 4-tert-Butylbenzylamine
- 51308-56-6Carbonimidodithioicacid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl 1-methylpropyl ester(9CI)
- 51308-58-8Carbonimidodithioicacid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl hexyl ester (9CI)
- 513-08-6Phosphoric acid,tripropyl ester
- 51308-63-5Carbonimidothioic acid,3-pyridinyl-, S-[[4-(1,1-dimethylethyl)phenyl]methyl] O-(1-methylethyl) ester(9CI)
- 51308-67-9Carbonimidothioic acid,3-pyridinyl-, S-[[4-(1,1-dimethylethyl)phenyl]methyl] O-pentyl ester (9CI)
- 51308-99-71-Nonanol, 9-chloro-
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| Name |
4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate |
EINECS | N/A |
| CAS No. | 51308-55-5 | Density | 1.05g/cm3 |
| PSA | 75.85000 | LogP | 6.68920 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H28 N2 S2 | Boiling Point | 497.5°Cat760mmHg |
| Molecular Weight | 372.599 | Flash Point | 254.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
(4-(1,1-Dimethylethyl)phenyl)methyl2-methylpropyl-3-pyridinylcarbonimidodithioate |
4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Chemical Properties
IUPAC Name: 1-[(4-tert-Butylphenyl)methylsulfanyl]-1-(2-methylpropylsulfanyl)-N-pyridin-3-ylmethanimine
Synonyms of 4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate (CAS NO.51308-55-5):1-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methylpropylsulfanyl)-N-pyridin-3-ylmethanimine
CAS NO: 51308-55-5
Molecular Formula: C21H28N2S2
Molecular Weight: 372.5904
Molecular Structure: .png)
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 75.85 Å2
Index of Refraction: 1.568
Molar Refractivity: 115.56 cm3
Molar Volume: 353 cm3
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
SMILES: S(/C(=N/c1cccnc1)SCC(C)C)Cc2ccc(cc2)C(C)(C)C
InChI: InChI=1/C21H28N2S2/c1-16(2)14-24-20(23-19-7-6-12-22-13-19)25-15-17-8-10-18(11-9-17)21(3,4)5/h6-13,16H,14-15H2,1-5H3/b23-20+
InChIKey: WANJBBNHYRAZSO-BSYVCWPDBU
Std. InChI: InChI=1S/C21H28N2S2/c1-16(2)14-24-20(23-19-7-6-12-22-13-19)25-15-17-8-10-18(11-9-17)21(3,4)5/h6-13,16H,14-15H2,1-5H3/b23-20+
Std. InChIKey: WANJBBNHYRAZSO-BSYVCWPDSA-N
4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | United States Patent Document. Vol. 3899582, |
4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Safety Profile
Moderately toxic by ingestion. When 4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate (CAS NO.51308-55-5) is heated to decomposition, it emits toxic vapors of NOx and SOx.
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