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Basic Information
CAS No.: 63906-49-0
Name: Hydroselenocyanoacetic acid butyl ester
Molecular Structure:
Molecular Structure of 63906-49-0 (Hydroselenocyanoacetic acid butyl ester)
Formula: C7H11 N O2 Se
Molecular Weight: 220.15
Synonyms: Aceticacid, selenocyanato-, butyl ester (7CI,9CI)
Density: g/cm3
Boiling Point: 266°Cat760mmHg
Flash Point: 114.6°C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Se
PSA: 50.09000
LogP: 0.93328
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    Acetic acid,2-selenocyanato-, butyl ester

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Chemistry

IUPAC Name: Butyl 2-selenocyanatoacetate
Synonyms of Butyl selenocyanoacetate (CAS NO.63906-49-0): Acetic acid, selenocyano-, butyl ester
InChI: InChI=1/C7H11NO2Se/c1-2-3-4-10-7(9)5-11-6-8/h2-5H2,1H3
InChIKey: MQIZVJNTYOXPPF-UHFFFAOYAY
Std. InChI: InChI=1S/C7H11NO2Se/c1-2-3-4-10-7(9)5-11-6-8/h2-5H2,1H3
Std. InChIKey: MQIZVJNTYOXPPF-UHFFFAOYSA-N
CAS NO: 63906-49-0
Molecular Formula: C7H11NO2Se
Molecular Weight: 220.1277
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 50.09 Å2
Flash Point: 114.6 °C
Enthalpy of Vaporization: 50.39 kJ/mol
Boiling Point: 266 °C at 760 mmHg
Vapour Pressure: 0.00889 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 15, 1953.

Safety Profile

A poison by intraperitoneal route. When Butyl selenocyanoacetate (CAS NO.63906-49-0) is heated to decomposition, it emits toxic vapors of NOx and Se

Standards and Recommendations

ACGIH TLV: TWA 0.2 mg(Se)/m3