IUPAC Name: 8-bicyclo[4.2.0]octa-1,3,5-trienyl(phenyl)methanone
Synonyms of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl phenyl ketone (CAS NO.6809-94-5): Carbonimidodithioic acid, 3-pyridinyl-, bis((4-(1,1-dimethylethyl)phenyl)methyl) ester
CAS NO: 6809-94-5
Molecular Formula of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl phenyl ketone (CAS NO.6809-94-5): C15H12O
Molecular Weight: 208.2552
Molecular Structure:
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.632
Molar Refractivity: 63.46 cm3
Molar Volume: 177.8 cm3
Surface Tension: 50.1 dyne/cm
Density of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl phenyl ketone (CAS NO.6809-94-5): 1.171 g/cm3
Flash Point: 153.3 °C
Enthalpy of Vaporization: 59.62 kJ/mol
Boiling Point: 351.5 °C at 760 mmHg
Vapour Pressure: 4.1E-05 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1250mg/kg (1250mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | Journal of Medicinal Chemistry. Vol. 9, Pg. 656, 1966. |
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
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