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6813-90-7

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Basic Information
CAS No.: 6813-90-7
Name: Benzyl(bicyclo[4.2.0]octa-1,3,5-trien-7-yl) ketone oxime
Molecular Structure:
Molecular Structure of 6813-90-7 (Benzyl(bicyclo[4.2.0]octa-1,3,5-trien-7-yl) ketone oxime)
Formula: C16H15NO
Molecular Weight: 237.32
Density: 1.14g/cm3
Boiling Point: 436.3°Cat760mmHg
Flash Point: 284.5°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 32.59000
LogP: 3.39920
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  • BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL BENZYL KETONE OXIME

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  • Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone oxime

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    6813-90-7

    Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone oxime

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Chemistry

IUPAC Name: (NZ)-N-[1-(8-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethylidene]hydroxylamine
Synonyms of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone oxime (CAS NO.6813-90-7): BRN 2460333 ; Benzyl bicyclo(4.2.0)octa-1,3,5-trien-7-yl ketone oxime ; Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl, oxime
CAS NO: 6813-90-7  
Molecular Formula of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone oxime (CAS NO.6813-90-7): C16H15NO
Molecular Weight: 237.2964
Molecular Structure:

H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 32.59 Å2
Index of Refraction: 1.62
Molar Refractivity: 72.542 cm3
Molar Volume: 206.633 cm3
Surface Tension: 44.318 dyne/cm
Density of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone oxime (CAS NO.6813-90-7): 1.148 g/cm3
Flash Point: 284.544 °C
Enthalpy of Vaporization: 73.012 kJ/mol
Boiling Point: 436.273 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS		 Journal of Medicinal Chemistry. Vol. 9, Pg. 656, 1966.

Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid