1-Indanone 1-Indanone
Structural formula
| Business number | 01TP |
|---|---|
| Molecular formula | C9H8O |
| Molecular weight | 132.16 |
| label |
a-indanone, 2,3-dihydro-1-indanone, 2,3-Dihydro-1H-inden-1-one, α-Hydrindone |
Numbering system
CAS number:83-33-0
MDL number:MFCD00003785
EINECS number:201-470-1
RTECS number:None
BRN number:507957
PubChem number:24895974
Physical property data
1. Properties: White flaky crystals.
2. Relative density (d404) : 1.0943
3. Relative vapor density (g/mL, air =1): Uncertain
4. Melting point (ºC): 42
5. Boiling point (ºC, normal pressure): 243
6. Boiling point ( ºC): 129℃ (1.73kPa)
7. Refractive index at room temperature (n25): 1.561
8. Flash point (ºC): 111
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil-water (octanol/water) partition coefficient Log value: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Slightly soluble in water, soluble in ethanol, ether, acetone, chloroform, petroleum ether.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 38.55
2. Molar volume (cm3/mol): 115.0
3. Isotonic specific volume (90.2K ): 297.6
4. Surface tension (dyne/cm): 44.8
5. Polarizability (10-24cm3): 15.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 151
10. Number of isotope atoms: 0
11. Determine the number of stereocenters of atoms: 0
12. Determine the number of stereocenters of atoms: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Exist in smoke.
Storage method
Stored in a cool and dark place. The color becomes darker after long storage.
Synthesis method
Pour dry hydrogen chloride into the newly steamed indene and keep the temperature at 5-10°C. The reaction takes 8-10 hours. The reaction product is distilled under reduced pressure and 90-103 (1.73kPa) is collected to obtain α-chloroindene. Oxidize it with chromium trioxide in glacial acetic acid and keep the temperature at 35-40°C to generate dihydro-1-indanone. The yield is 50%-60%.
Purpose
Used in organic synthesis.
