o-Hydroxyacetophenone
Structural formula
| Business number | 03AD |
|---|---|
| Molecular formula | C8H8O2 |
| Molecular weight | 136.15 |
| label |
o-Acetylphenol, 2-Acetylphenol, 2-Acetylphenol, o-Acetylphenol, 2-Hydroxyacetophenone, aromatic compounds |
Numbering system
CAS number:118-93-4
MDL number:MFCD00002219
EINECS number:204-288-0
RTECS number:AM8575000
BRN number:386123
PubChem number:24878540
Physical property data
1. Properties: colorless and transparent liquid.
2. Density (g/mL, 25℃): 1.131
3. Relative vapor density (g/mL, air=1): 4.7
4. Melting point (ºC): 2.5
5. Boiling point (ºC, normal pressure): 218; 90~95 (1.6kpa)
6. Boiling point (ºC, 2.3kPa) : 106
7. Refractive index (n20D) : 1.558
8. Flash point (ºC): 106
9. Relative density (20℃, 4℃): 1.1307
10. Relative density (25℃, 4℃): 1.1275
11. Vapor pressure (mmHg, 20ºC): ~0.2
12. Refractive index at room temperature (n20): 1.5584
13. Refractive index at room temperature (n25): 1.5564
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Logarithmic value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: mouse intraperitoneal LD50: 100mg/kg
Ecological data
Slightly hazardous to water.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 38.16
2. Molar volume (cm3/mol): 119.3
3. Isotonic specific volume (90.2K): 307.4
4. Surface tension (dyne/cm): 43.9
5. Polarizability (10-24cm3): 15.12
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: 1
5. Number of tautomers: 9
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 131
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atoms Number of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxidants.
2. Exist in mainstream smoke.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Used to synthesize pharmaceutical intermediates
