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| Name |
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester |
EINECS | N/A |
| CAS No. | 34763-22-9 | Density | 1.27g/cm3 |
| PSA | 89.35000 | LogP | 5.79690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H19 Cl N2 S2 | Boiling Point | 477.2°Cat760mmHg |
| Molecular Weight | 350.936 | Flash Point | 242.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
(4-Chlorophenyl)methyl 1-methylpropyl-3-pyridinylcarbonimidodithioate |
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester Chemical Properties
Molecular Structure of Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester (CAS NO. 34763-22-9):
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IUPAC Name: [4-(4-Chlorophenyl)-2-methylbutan-2-yl] N-pyridin-3-ylcarbamodithioate
Molecular Formula: C17H19ClN2S2
Molecular Weight: 350.929160 g/mol
XLogP3-AA: 5.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC(C)(CCC1=CC=C(C=C1)Cl)SC(=S)NC2=CN=CC=C2
InChI: InChI=1S/C17H19ClN2S2/c1-17(2,10-9-13-5-7-14(18)8-6-13)22-16(21)20-15-4-3-11-19-12-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKey: FYMJCCNIXVHVJC-UHFFFAOYSA-N
Index of Refraction: 1.657
Molar Refractivity: 101.75 cm3
Molar Volume: 276.3 cm3
Surface Tension: 57.1 dyne/cm
Density: 1.27 g/cm3
Flash Point: 242.4 °C
Enthalpy of Vaporization: 74.11 kJ/mol
Boiling Point: 477.2 °C at 760 mmHg
Vapour Pressure: 2.86E-09 mmHg at 25 °C
Water Solubility of Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester (CAS NO. 34763-22-9): 0.1394 mg/L at 25 °C
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester Toxicity Data With Reference
| 1. | orl-mus LD50:>600 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 . |
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester Specification
Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester with cas registry number of 34763-22-9 is also known as (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate .
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