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Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate

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Name

Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate

EINECS N/A
CAS No. 34763-20-7 Density 1.18g/cm3
PSA 75.85000 LogP 6.18920
Solubility N/A Melting Point N/A
Formula C17H19 Cl N2 S2 Boiling Point 491°Cat760mmHg
Molecular Weight 350.936 Flash Point 250.7°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 Molecular Structure of 34763-20-7 (Butyl(4-chlorophenyl)methyl-3-pyridinylcarbonimidodithioate) Hazard Symbols Moderately toxic by ingestion.
Synonyms

Butyl(4-chlorophenyl)methyl-3-pyridinylcarbonimidodithioate

 

Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate Chemical Properties

IUPAC Name: 1-Butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Synonyms of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.34763-20-7): Carbonimidodithioic acid, 3-pyridinyl-, butyl(4-chlorophenyl)methyl ester
InChI: InChI=1/C17H19ClN2S2/c1-2-3-11-21-17(20-16-5-4-10-19-12-16)22-13-14-6-8-15(18)9-7-14/h4-10,12H,2-3,11,13H2,1H3/b20-17+
InChIKey: RBIVAOYXFGTUBH-LVZFUZTIBI
Std. InChI: InChI=1S/C17H19ClN2S2/c1-2-3-11-21-17(20-16-5-4-10-19-12-16)22-13-14-6-8-15(18)9-7-14/h4-10,12H,2-3,11,13H2,1H3/b20-17+
Std. InChIKey: RBIVAOYXFGTUBH-LVZFUZTISA-N
CAS NO: 34763-20-7
Molecular Formula: C17H19ClN2S2
Molecular Weight: 350.9292
Molecular Structure :
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 75.85 Å2
Index of Refraction: 1.604
Molar Refractivity: 101.94 cm3
Molar Volume: 296.1 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.18 g/cm3
Flash Point: 250.7 °C
Enthalpy of Vaporization: 72.88 kJ/mol
Boiling Point: 491 °C at 760 mmHg
Vapour Pressure: 2.62E-09 mmHg at 25°C

Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. 3899582,

Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate Safety Profile

Moderately toxic by ingestion. When Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.34763-20-7) is heated to decomposition, it emits toxic vapors of NOx, SOx, and Cl.

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