2-Chlorocyclopentanone Structural Formula

2-Chlorocyclopentanone Structural Formula

Structural formula

Business number 07A7
Molecular formula C5H7ClO
Molecular weight 118.56




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 volumem3/ mol101.6

3. isotonic ratio90.2K242.6

4. Surface Tensiondyne/cm32.4

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



Organic synthesis intermediates


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