Structural formula
| Business number | 07A7 |
|---|---|
| Molecular formula | C5H7ClO |
| Molecular weight | 118.56 |
| label |
2-Chlorocyclopentanone, o-Chlorocyclopentanone, ClC5H7(=O), Alicyclic compounds, Organic synthetic raw materials |
Numbering system
CAS number:694-28-0
MDL number:MFCD00001410
EINECS number:211-769-9
RTECS number:GY4900000
BRN number:1098899
PubChem number:24892599
Physical property data
1. Character: liquid.
2. Density (g/mL,25/4℃): 1.185
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.474
8. Flash Point (ºC): 77
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined .
Toxicological data
1, acute toxicity: Mouse (peritoneal) LD50: 310 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA is The degree of acute toxicity is the same as that of table salt.
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index:28.07 2. Molar volume（m3/ mol）：101.6 3. isotonic ratio（90.2K）：242.6 4. Surface Tension（dyne/cm）：32.4 5. Dielectric constant: 6. Dipole moment(10-24cm3）： 7. Polarizability: 11.12
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
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: 3
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 90.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Keep away from oxides.
Storage method
Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. refrigeration.
Synthesis method
None
Purpose
Organic synthesis intermediates
