Structural formula
| Business number | 05UN |
|---|---|
| Molecular formula | C13H11NO |
| Molecular weight | 197.24 |
| label |
benzophenone oxime, benzophenone oxime, Benzophenoxim, Diphenyl ketoxime, Pharmaceutical and pesticide research and development |
Numbering system
CAS number:574-66-3
MDL number:MFCD00051461
EINECS number:209-373-6
RTECS number:DJ1810000
BRN number:1869643
PubChem ID:None
Physical property data
1. Physical property data
1. Character: white small crystal or leaf-like
2. Melting point (ºC): 140-144
3. Solubility:Soluble in sodium hydroxide, slightly soluble in ethanol, almost insoluble in water.
Toxicological data
Acute toxicity:
Related to classificationLD/LC50Value:
LD50 560mg/kg(mus)
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 61.26 2. Molar volume (m3/mol)：186.8 3. isotonic specific volume (90.2K):472.1 4. Surface Tension (dyne/cm):40.7 5. Polarizability（10-24cm3):24.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecule polar surface area 32.6
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 193
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stability and reactivity:
Materials to avoid: oxides, air, moisture, humidity, heat, light.
Products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxides.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None
Purpose
Purpose:
Used as pharmaceutical and pesticide intermediates.
