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