Product Name

  • Name

    Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-(2-hydroxypropyl)oxime

  • EINECS
  • CAS No. 6813-92-9
  • Density 1.14g/cm3
  • Solubility
  • Melting Point
  • Formula C13H17NO2
  • Boiling Point 354.7°Cat760mmHg
  • Molecular Weight 219.283
  • Flash Point 168.3°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 6813-92-9 (Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-(2-hydroxypropyl)oxime)
  • Hazard Symbols
  • Synonyms
  • PSA 41.82000
  • LogP 2.09960

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime Chemical Properties

Empirical Formula of O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime (CAS NO.6813-92-9): C13H17NO2
Molecular Weight: 219.2796 
Index of Refraction: 1.564
Density: 1.144 g/cm3
Flash Point: 168.295 °C
Enthalpy of Vaporization: 63.284 kJ/mol
Boiling Point: 354.663 °C at 760 mmHg
Structure of O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime (CAS NO.6813-92-9):
                         
IUPAC Name: 1-[(E)-1-(8-Bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino]oxypropan-2-ol
Canonical SMILES: CC(CON=C(C)C1CC2=CC=CC=C12)O
Isomeric SMILES: CC(CO/N=C(\C)/C1CC2=CC=CC=C12)O
InChI: InChI=1S/C13H17NO2/c1-9(15)8-16-14-10(2)13-7-11-5-3-4-6-12(11)13/h3-6,9,13,15H,7-8H2,1-2H3/b14-10+
InChIKey: VKFNGVQUSMHREJ-GXDHUFHOSA-N

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime Toxicity Data With Reference

1.    

ipr-mus LD50:550 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),656.

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime (CAS NO.6813-92-9) emits toxic vapors of NOx.

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime Specification

 O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime , its cas register number is 6813-92-9. It also can be called BRN 2457552 ; Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-(2-hydroxypropyl)oxime ; and Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime .

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