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Basic Information
CAS No.: 54096-45-6
Name: 1-cyano-3,4-epithiobutane
Article Data: 1
Molecular Structure:
Molecular Structure of 54096-45-6 (1-cyano-3,4-epithiobutane)
Formula: C5H7 N S
Molecular Weight: 113.183
Synonyms: Thiiranepropanenitrile(9CI); 1-Cyano-3,4-epithiobutane; 3,4-Epithiobutyl cyanide; NSC 322064
Density: 1.129g/cm3
Boiling Point: 249°C at 760 mmHg
Flash Point: 104.4°C
Safety: Poison by subcutaneous route. An experimental teratogen. Experimental reproductive effects.When heated to decomposition it emits toxic fumes of NOx, CN−, and SOx. See also NITRILES.
PSA: 49.09000
LogP: 1.40558
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Chemistry

IUPAC Name: 3-(Thiiran-2-yl)propanenitrile
Synonyms of 4,5-Epithiovaleronitrile (CAS NO.54096-45-6) : 1-Cyano-3,4-epithiobutane ; Cyano-3,4-epithiobutane ; Thiiranepropanenitrile ; Valeronitrile, 4,5-epithio-
CAS NO:54096-45-6
Molecular Formula:C5H7NS
Molecular Weight :113.180780 g/mol
Molecular Structure :
Index of Refraction: 1.536 
Surface Tension: 51 dyne/cm
Density: 1.129 g/cm3
Flash Point: 104.4 °C
Enthalpy of Vaporization: 48.62 kJ/mol
Boiling Point: 249 °C at 760 mmHg
Vapour Pressure: 0.0235 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 subcutaneous 109mg/kg (109mg/kg) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980.
rat LDLo intraperitoneal 200mg/kg (200mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 311, 1991.
rat LDLo oral 180mg/kg (180mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 311, 1991.

 

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by subcutaneous route. An experimental teratogen. Experimental reproductive effects.When 4,5-Epithiovaleronitrile (CAS NO.54096-45-6) is heated to decomposition, it emits toxic fumes of NOx, CN−, and SOx. See also NITRILES.