Product Name

  • Name

    Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-allyl oxime

  • EINECS
  • CAS No. 6813-95-2
  • Article Data2
  • CAS DataBase
  • Density 1.036g/cm3
  • Solubility
  • Melting Point
  • Formula C13H15NO
  • Boiling Point 297.971°C at 760 mmHg
  • Molecular Weight 201.29
  • Flash Point 110.321°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6813-95-2 (Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-allyl oxime)
  • Hazard Symbols
  • Synonyms
  • PSA 21.59000
  • LogP 2.90480

Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime Chemical Properties

Product Name: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime (CAS NO.6813-95-2)


Molecular Formula: C13H15NO
Molecular Weight: 201.29g/mol
Mol File: 6813-95-2.mol
Boiling point: 298 °C at 760 mmHg
Flash Point: 110.3 °C
Density: 1.03 g/cm3
Surface Tension: 34.4 dyne/cm
Enthalpy of Vaporization: 51.63 kJ/mol
Vapour Pressure: 0.00231 mmHg at 25°C
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 1-(8-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-prop-2-enoxyethanimine
Canonical SMILES: CC(=NOCC=C)C1CC2=CC=CC=C12
Isomeric SMILES: C/C(=N\OCC=C)/C1CC2=CC=CC=C12
InChI: InChI=1S/C13H15NO/c1-3-8-15-14-10(2)13-9-11-6-4-5-7-12(11)13/h3-7,13H,1,
8-9H2,2H3/b14-10+ 
InChIKey: HPRZOWDDBBRHCA-GXDHUFHOSA-N

Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1320mg/kg (1320mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

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

Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime Safety Profile

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

Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime Specification

 Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-allyloxime ,its CAS NO. is 6813-95-2,the synonyms is BRN 2267902 ; Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-allyloxime ; BRN 2267902 ; CID9570251 ; LS-87059 .

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